AB00366972-03
TL;DR: AB00366972-03 (CAS 669732-77-8) is a chemical compound with molecular formula C16H22N2OS and molecular weight 290.15 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)-3,3-dimethylbutanamide
Also Known As: AB00366972-03, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3-dimethylbutanamide, N-(3-cyano-6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-3,3-dimethylbuta namide
| Molecular Formula | C16H22N2OS |
|---|---|
| Molecular Weight | 290.15 g/mol |
| LogP | 4.11928 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.1453 |
| Heavy Atoms | 20 |
| Complexity | 560.2576 |
Chemical Identifiers
| CAS Number | 669732-77-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CC(C)(C)C |
Product Overview
AB00366972-03 (CAS 669732-77-8), with molecular formula C16H22N2OS and molecular weight 290.15 g/mol. IUPAC: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3-dimethylbutanamide.
Chemical Property Profile of AB00366972-03
Property Insights of AB00366972-03
The XLogP value of 4.11928 indicates that AB00366972-03 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, AB00366972-03 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00366972-03 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 AB00366972-03?
The CAS number of AB00366972-03 is 669732-77-8.
What is the molecular formula of AB00366972-03?
The molecular formula of AB00366972-03 is C16H22N2OS.
What is the molecular weight of AB00366972-03?
The molecular weight of AB00366972-03 is 290.15 g/mol.
Where can I buy AB00366972-03?
You can request a quote for AB00366972-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00366972-03?
Yes, KEHONG BIO provides custom synthesis services for AB00366972-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.