AB00682170-01
TL;DR: AB00682170-01 (CAS 329227-01-2) is a chemical compound with molecular formula C20H22N2OS and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,4,6-trimethylbenzamide
Also Known As: AB00682170-01, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,4,6-trimethylbenzamide, F3097-2629, N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,4,6-trimethylbenzamide
| Molecular Formula | C20H22N2OS |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 4.92214 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.1453 |
| Heavy Atoms | 24 |
| Complexity | 834.2494 |
Chemical Identifiers
| CAS Number | 329227-01-2 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C=C(C=C3C)C)C |
Product Overview
AB00682170-01 (CAS 329227-01-2), with molecular formula C20H22N2OS and molecular weight 338.15 g/mol. IUPAC: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,4,6-trimethylbenzamide.
Chemical Property Profile of AB00682170-01
Property Insights of AB00682170-01
The XLogP value of 4.92214 indicates that AB00682170-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, AB00682170-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00682170-01 has 1 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 AB00682170-01?
The CAS number of AB00682170-01 is 329227-01-2.
What is the molecular formula of AB00682170-01?
The molecular formula of AB00682170-01 is C20H22N2OS.
What is the molecular weight of AB00682170-01?
The molecular weight of AB00682170-01 is 338.15 g/mol.
Where can I buy AB00682170-01?
You can request a quote for AB00682170-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00682170-01?
Yes, KEHONG BIO provides custom synthesis services for AB00682170-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.