AB00666923-01
TL;DR: AB00666923-01 (CAS 328539-89-5) is a chemical compound with molecular formula C21H26N2OS and molecular weight 354.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)adamantane-1-carboxamide
Also Known As: AB00666923-01, N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)adamantane-1-carboxamide, F0147-0299, (3r,5r,7r)-N-(3-cyano-5-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)adamantane-1-carboxamide
| Molecular Formula | C21H26N2OS |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | 4.89948 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.17657 |
| Heavy Atoms | 25 |
| Complexity | 736.3102 |
Chemical Identifiers
| CAS Number | 328539-89-5 |
|---|---|
| SMILES | CC1CCC2=C(C1)C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C#N |
Product Overview
AB00666923-01 (CAS 328539-89-5), with molecular formula C21H26N2OS and molecular weight 354.18 g/mol. IUPAC: N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)adamantane-1-carboxamide.
Chemical Property Profile of AB00666923-01
Property Insights of AB00666923-01
The XLogP value of 4.89948 indicates that AB00666923-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, AB00666923-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00666923-01 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 AB00666923-01?
The CAS number of AB00666923-01 is 328539-89-5.
What is the molecular formula of AB00666923-01?
The molecular formula of AB00666923-01 is C21H26N2OS.
What is the molecular weight of AB00666923-01?
The molecular weight of AB00666923-01 is 354.18 g/mol.
Where can I buy AB00666923-01?
You can request a quote for AB00666923-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00666923-01?
Yes, KEHONG BIO provides custom synthesis services for AB00666923-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.