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Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) structure
Fine Chemical

Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)

TL;DR: Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) (CAS 112250-61-0) is a chemical compound with molecular formula C44H54N4O8S2 and molecular weight 830.3383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-methyl-3-[[3-[methyl-[2-[methyl-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methyl]amino]ethyl]amino]-3-oxopropyl]disulfanyl]-N-[2-[methyl-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methyl]amino]ethyl]propanamide

Also Known As: Dbp-psoralen, Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen), N-methyl-3-[[3-[methyl-[2-[methyl-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methyl]amino]ethyl]amino]-3-oxopropyl]disulfanyl]-N-[2-[methyl-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methyl]amino]ethyl]propanamide, 3,3'-Disulfanediylbis[N-methyl-N-(2-{methyl[(2,5,9-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-3-yl)methyl]amino}ethyl)propanamide], Propanamide, 3,3'-dithiobis(N-methyl-N-(2-(methyl((2,5,9-trimethyl-7-oxo-7H-furo(3,2-g)(1)benzopyran-3-yl)methyl)amino)ethyl)-

CAS Number
112250-61-0
Molecular Formula
C44H54N4O8S2
Molecular Weight
830.3383 g/mol
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Technical Specifications

Molecular FormulaC44H54N4O8S2
Molecular Weight830.3383 g/mol
XLogP5.0
Topological Polar Surface Area (TPSA)177.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors12
Rotatable Bonds17
Exact Mass830.3383 Da
Heavy Atoms58
Complexity1450.0
SMILESCC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CN(C)CCN(C)C(=O)CCSSCCC(=O)N(C)CCN(C)CC4=C(OC5=C4C=C6C(=CC(=O)OC6=C5C)C)C)C
InChIKeyIOTZAFHOGRWAKS-UHFFFAOYSA-N

Product Description

Applications: Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) (CAS 112250-61-0) is a fine chemical with the molecular formula C44H54N4O8S2 and a molecular weight of 830.34 g/mol. Synonyms include Dbp-psoralen and Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen).

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)

XLogP
5.0
TPSA (Topological Polar Surface Area)
177.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
12
Rotatable Bonds
17
Heavy Atoms
58
Complexity
1450.0
Exact Mass
830.3383
Monoisotopic Mass
830.3383
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)

The XLogP value of 5.0 indicates that Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.0 Ų indicates high polarity, suggesting Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)?

The CAS number of Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) is 112250-61-0.

What is the molecular formula of Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)?

The molecular formula of Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) is C44H54N4O8S2.

What is the molecular weight of Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)?

The molecular weight of Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) is 830.3383 g/mol.

What are the applications of Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)?

Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with...

Where can I buy Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)?

You can request a quote for Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen)?

Yes, CoreyChem provides custom synthesis services for Dithiobis(ethylmethylamidoethylmethylaminomethyl-2,5,9-trimethylpsoralen) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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