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CTK7I4167 structure
Fine Chemical

CTK7I4167

TL;DR: CTK7I4167 (CAS 781661-94-7) is a chemical compound with molecular formula C26H27N4O3+ and molecular weight 443.2083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium

[amino-[7-[2-[4-[1-(1-aminoethyl)pyrrol-3-yl]oxyphenyl]-2-carboxyethyl]naphthalen-2-yl]methylidene]azanium

Also Known As: DX9056A, YM155, [amino-[7-[2-[4-[1-(1-aminoethyl)pyrrol-3-yl]oxyphenyl]-3-hydroxy-3-oxopropyl]naphthalen-2-yl]methylidene]azanium, 1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-, bromide (1:1), amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium

CAS Number
781661-94-7
Molecular Formula
C26H27N4O3+
Molecular Weight
443.2083 g/mol
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Technical Specifications

Molecular FormulaC26H27N4O3+
Molecular Weight443.2083 g/mol
XLogP1.1
Topological Polar Surface Area (TPSA)129.0 Ų
Hydrogen Bond Donors4
Hydrogen Bond Acceptors4
Rotatable Bonds8
Exact Mass443.2083 Da
Heavy Atoms33
Complexity675.0
SMILESCC(N)N1C=CC(=C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=[NH2+])N)C(=O)O
InChIKeyFCZIGLIZRGMDGN-UHFFFAOYSA-O

Product Description

Applications: CTK7I4167 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).

CTK7I4167 is a fine chemical identified by CAS number 781661-94-7 and the molecular formula C26H27N4O3+ and a molecular weight of 443.21 g/mol. Synonyms include DX9056A and YM155.

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 CTK7I4167

XLogP
1.1
TPSA (Topological Polar Surface Area)
129.0
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
4
Rotatable Bonds
8
Heavy Atoms
33
Complexity
675.0
Exact Mass
443.2083
Monoisotopic Mass
443.2083
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 CTK7I4167

The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK7I4167. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK7I4167. Following Lipinski's Rule of Five, CTK7I4167 has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of CTK7I4167?

The CAS number of CTK7I4167 is 781661-94-7.

What is the molecular formula of CTK7I4167?

The molecular formula of CTK7I4167 is C26H27N4O3+.

What is the molecular weight of CTK7I4167?

The molecular weight of CTK7I4167 is 443.2083 g/mol.

What are the applications of CTK7I4167?

CTK7I4167 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).

Where can I buy CTK7I4167?

You can request a quote for CTK7I4167 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for CTK7I4167?

Yes, CoreyChem provides custom synthesis services for CTK7I4167 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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