AB00672588-01
TL;DR: AB00672588-01 (CAS 477493-88-2) is a chemical compound with molecular formula C21H25N3OS and molecular weight 367.17 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)-4-(diethylamino)benzamide
Also Known As: AB00672588-01, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(diethylamino)benzamide, F0806-0591, N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-(diethylamino)benzamide
| Molecular Formula | C21H25N3OS |
|---|---|
| Molecular Weight | 367.17 g/mol |
| LogP | 4.84308 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.17184 |
| Heavy Atoms | 26 |
| Complexity | 828.17645 |
Chemical Identifiers
| CAS Number | 477493-88-2 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N |
Product Overview
AB00672588-01 (CAS 477493-88-2), with molecular formula C21H25N3OS and molecular weight 367.17 g/mol. IUPAC: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(diethylamino)benzamide.
Chemical Property Profile of AB00672588-01
Property Insights of AB00672588-01
The XLogP value of 4.84308 indicates that AB00672588-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.13 Ų, AB00672588-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00672588-01 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 AB00672588-01?
The CAS number of AB00672588-01 is 477493-88-2.
What is the molecular formula of AB00672588-01?
The molecular formula of AB00672588-01 is C21H25N3OS.
What is the molecular weight of AB00672588-01?
The molecular weight of AB00672588-01 is 367.17 g/mol.
Where can I buy AB00672588-01?
You can request a quote for AB00672588-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672588-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672588-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.