AJ-292/13046038
TL;DR: AJ-292/13046038 (CAS 351440-80-7) is a chemical compound with molecular formula C17H22N2O3S and molecular weight 334.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
Also Known As: AJ-292/13046038, 4-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid, 4-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-4-oxobutanoic acid, 3-[(6-TERT-BUTYL-3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)CARBAMOYL]PROPANOIC ACID, 4-((6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-4-oxobutanoic acid
| Molecular Formula | C17H22N2O3S |
|---|---|
| Molecular Weight | 334.14 g/mol |
| LogP | 3.57408 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.1351 |
| Heavy Atoms | 23 |
| Complexity | 664.60394 |
Chemical Identifiers
| CAS Number | 351440-80-7 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC(=O)O |
Product Overview
AJ-292/13046038 (CAS 351440-80-7), with molecular formula C17H22N2O3S and molecular weight 334.14 g/mol. IUPAC: 4-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of AJ-292/13046038
Property Insights of AJ-292/13046038
The XLogP value of 3.57408 indicates that AJ-292/13046038 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/13046038. Following Lipinski's Rule of Five, AJ-292/13046038 has 2 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 AJ-292/13046038?
The CAS number of AJ-292/13046038 is 351440-80-7.
What is the molecular formula of AJ-292/13046038?
The molecular formula of AJ-292/13046038 is C17H22N2O3S.
What is the molecular weight of AJ-292/13046038?
The molecular weight of AJ-292/13046038 is 334.14 g/mol.
Where can I buy AJ-292/13046038?
You can request a quote for AJ-292/13046038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13046038?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13046038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.