AB00093923-01
TL;DR: AB00093923-01 (CAS 354546-77-3) is a chemical compound with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(pyridine-3-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: AB00093923-01, methyl 2-(pyridine-3-amido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-(pyridine-3-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-[(3-pyridinylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C17H18N2O3S |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 3.4509 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.10382 |
| Heavy Atoms | 23 |
| Complexity | 724.93976 |
Chemical Identifiers
| CAS Number | 354546-77-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CN=CC=C3 |
Product Overview
AB00093923-01 (CAS 354546-77-3), with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol. IUPAC: methyl 2-(pyridine-3-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of AB00093923-01
Property Insights of AB00093923-01
The XLogP value of 3.4509 indicates that AB00093923-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00093923-01. Following Lipinski's Rule of Five, AB00093923-01 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
Frequently Asked Questions
What is the CAS number of AB00093923-01?
The CAS number of AB00093923-01 is 354546-77-3.
What is the molecular formula of AB00093923-01?
The molecular formula of AB00093923-01 is C17H18N2O3S.
What is the molecular weight of AB00093923-01?
The molecular weight of AB00093923-01 is 330.10 g/mol.
Where can I buy AB00093923-01?
You can request a quote for AB00093923-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00093923-01?
Yes, KEHONG BIO provides custom synthesis services for AB00093923-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.