AB00682320-01
TL;DR: AB00682320-01 (CAS 496036-35-2) is a chemical compound with molecular formula C22H26N2O2S and molecular weight 382.17 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-(2,4-dimethylphenoxy)butanamide
Also Known As: AB00682320-01, F3098-4400, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,4-dimethylphenoxy)butanamide, N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-(2,4-dimethylphenoxy)butanamide, N-(3-cyano-6-methyl-1-thia-4,5,6,7-tetrahydro-2-indenyl)4-(2,4-xylyloxy)butyramide
| Molecular Formula | C22H26N2O2S |
|---|---|
| Molecular Weight | 382.17 g/mol |
| LogP | 5.15912 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.1715 |
| Heavy Atoms | 27 |
| Complexity | 879.16846 |
Chemical Identifiers
| CAS Number | 496036-35-2 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCOC3=C(C=C(C=C3)C)C |
Product Overview
AB00682320-01 (CAS 496036-35-2), with molecular formula C22H26N2O2S and molecular weight 382.17 g/mol. IUPAC: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,4-dimethylphenoxy)butanamide.
Chemical Property Profile of AB00682320-01
Property Insights of AB00682320-01
The XLogP value of 5.15912 indicates that AB00682320-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00682320-01. Following Lipinski's Rule of Five, AB00682320-01 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00682320-01?
The CAS number of AB00682320-01 is 496036-35-2.
What is the molecular formula of AB00682320-01?
The molecular formula of AB00682320-01 is C22H26N2O2S.
What is the molecular weight of AB00682320-01?
The molecular weight of AB00682320-01 is 382.17 g/mol.
Where can I buy AB00682320-01?
You can request a quote for AB00682320-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00682320-01?
Yes, KEHONG BIO provides custom synthesis services for AB00682320-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.