AB00672574-01
TL;DR: AB00672574-01 (CAS 477494-31-8) is a chemical compound with molecular formula C21H20N2O2S and molecular weight 364.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(naphthalene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: AB00672574-01, 2-(2-naphthamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, F0806-0390, 2-(NAPHTHALENE-2-AMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXAMIDE, 2-(naphthalene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
| Molecular Formula | C21H20N2O2S |
|---|---|
| Molecular Weight | 364.12 g/mol |
| LogP | 4.5214 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.12454 |
| Heavy Atoms | 26 |
| Complexity | 1006.41376 |
Chemical Identifiers
| CAS Number | 477494-31-8 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=CC4=CC=CC=C4C=C3 |
Product Overview
AB00672574-01 (CAS 477494-31-8), with molecular formula C21H20N2O2S and molecular weight 364.12 g/mol. IUPAC: 2-(naphthalene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of AB00672574-01
Property Insights of AB00672574-01
The XLogP value of 4.5214 indicates that AB00672574-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672574-01. Following Lipinski's Rule of Five, AB00672574-01 has 2 hydrogen bond donor(s) and 3 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 AB00672574-01?
The CAS number of AB00672574-01 is 477494-31-8.
What is the molecular formula of AB00672574-01?
The molecular formula of AB00672574-01 is C21H20N2O2S.
What is the molecular weight of AB00672574-01?
The molecular weight of AB00672574-01 is 364.12 g/mol.
Where can I buy AB00672574-01?
You can request a quote for AB00672574-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672574-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672574-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.