AB00672581-01
TL;DR: AB00672581-01 (CAS 477494-59-0) is a chemical compound with molecular formula C19H22N2O2S and molecular weight 342.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-phenylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: AB00672581-01, F0806-0412, 2-(3-PHENYLPROPANAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXAMIDE, 2-(3-phenylpropanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-(3-phenylpropanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]
| Molecular Formula | C19H22N2O2S |
|---|---|
| Molecular Weight | 342.14 g/mol |
| LogP | 3.6872 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.1402 |
| Heavy Atoms | 24 |
| Complexity | 737.32513 |
Chemical Identifiers
| CAS Number | 477494-59-0 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)CCC3=CC=CC=C3 |
Product Overview
AB00672581-01 (CAS 477494-59-0), with molecular formula C19H22N2O2S and molecular weight 342.14 g/mol. IUPAC: 2-(3-phenylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of AB00672581-01
Property Insights of AB00672581-01
The XLogP value of 3.6872 indicates that AB00672581-01 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 AB00672581-01. Following Lipinski's Rule of Five, AB00672581-01 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 AB00672581-01?
The CAS number of AB00672581-01 is 477494-59-0.
What is the molecular formula of AB00672581-01?
The molecular formula of AB00672581-01 is C19H22N2O2S.
What is the molecular weight of AB00672581-01?
The molecular weight of AB00672581-01 is 342.14 g/mol.
Where can I buy AB00672581-01?
You can request a quote for AB00672581-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672581-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672581-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.