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RefChem:268306 structure
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RefChem:268306

TL;DR: RefChem:268306 (CAS 153804-57-0) is a chemical compound with molecular formula C23H29NO3S and molecular weight 399.18683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-[4-(3,4-dihydro-2H-thiochromen-8-yloxy)butyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine

Also Known As: 8-((4-((5-Methoxydihydro-(2H)-benzo(b)pyran-3-yl)amino)butyl)oxy)thiochroman, 2H-1-Benzopyran-3-amine, 3,4-dihydro-N-(4-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)butyl)-5-methoxy-, N-[4-(3,4-dihydro-2H-thiochromen-8-yloxy)butyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine, N-{4-[(3,4-Dihydro-2H-1-benzothiopyran-8-yl)oxy]butyl}-5-methoxy-3,4-dihydro-2H-1-benzopyran-3-amine

CAS Number
153804-57-0
Molecular Formula
C23H29NO3S
Molecular Weight
399.18683 g/mol
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Technical Specifications

Molecular FormulaC23H29NO3S
Molecular Weight399.18683 g/mol
XLogP4.8
Topological Polar Surface Area (TPSA)65.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors5
Rotatable Bonds8
Exact Mass399.18683 Da
Heavy Atoms28
Complexity465.0
SMILESCOC1=CC=CC2=C1CC(CO2)NCCCCOC3=CC=CC4=C3SCCC4
InChIKeyPACAWKKVNLIRTM-UHFFFAOYSA-N

Chemical Property Profile of RefChem:268306

XLogP
4.8
TPSA (Topological Polar Surface Area)
65.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
Rotatable Bonds
8
Heavy Atoms
28
Complexity
465.0
Exact Mass
399.18683
Monoisotopic Mass
399.18683
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 RefChem:268306

The XLogP value of 4.8 indicates that RefChem:268306 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:268306. Following Lipinski's Rule of Five, RefChem:268306 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of RefChem:268306?

The CAS number of RefChem:268306 is 153804-57-0.

What is the molecular formula of RefChem:268306?

The molecular formula of RefChem:268306 is C23H29NO3S.

What is the molecular weight of RefChem:268306?

The molecular weight of RefChem:268306 is 399.18683 g/mol.

Where can I buy RefChem:268306?

You can request a quote for RefChem:268306 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for RefChem:268306?

Yes, CoreyChem provides custom synthesis services for RefChem:268306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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