AB00685175-01
TL;DR: AB00685175-01 (CAS 477325-79-4) is a chemical compound with molecular formula C18H12N2OS2 and molecular weight 336.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)thiophene-2-carboxamide
Also Known As: AB00685175-01, F0779-0434, N-(4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)thiophene-2-carboxamide, N-{5-thia-3-azatetracyclo[6.6.1.0^{2,6}.0^{11,15}]pentadeca-1(15),2(6),3,7,11,13-hexaen-4-yl}thiophene-2-carboxamide, N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)thiophene-2-carboxamide
| Molecular Formula | C18H12N2OS2 |
|---|---|
| Molecular Weight | 336.04 g/mol |
| LogP | 4.8619 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.0391 |
| Heavy Atoms | 23 |
| Complexity | 1063.708 |
Chemical Identifiers
| CAS Number | 477325-79-4 |
|---|---|
| SMILES | C1CC2=CC3=C(C4=CC=CC1=C24)N=C(S3)NC(=O)C5=CC=CS5 |
Product Overview
AB00685175-01 (CAS 477325-79-4), with molecular formula C18H12N2OS2 and molecular weight 336.04 g/mol. IUPAC: N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)thiophene-2-carboxamide.
Chemical Property Profile of AB00685175-01
Property Insights of AB00685175-01
The XLogP value of 4.8619 indicates that AB00685175-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, AB00685175-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00685175-01 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00685175-01?
The CAS number of AB00685175-01 is 477325-79-4.
What is the molecular formula of AB00685175-01?
The molecular formula of AB00685175-01 is C18H12N2OS2.
What is the molecular weight of AB00685175-01?
The molecular weight of AB00685175-01 is 336.04 g/mol.
Where can I buy AB00685175-01?
You can request a quote for AB00685175-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685175-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685175-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.