ASN 00692462
TL;DR: ASN 00692462 (CAS 1185300-64-4) is a chemical compound with molecular formula C14H14N2O3S and molecular weight 290.0725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: ASN 00692462, (E)-3-(3-Cyano-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-ylcarbamoyl)-acrylic acid, 4-((3-Cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-4-oxobut-2-enoic acid, 5-DIMETHYLAMINOMETHYL-FURAN-2-CARBOXYLIC ACID HYDROCHLORIDE, (2E)-3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]prop-2-enoic acid
Technical Specifications
| Molecular Formula | C14H14N2O3S |
| Molecular Weight | 290.0725 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.0725 Da |
| Heavy Atoms | 20 |
| Complexity | 482.0 |
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C=CC(=O)O |
| InChIKey | MSOUYIUVVDCPNH-UHFFFAOYSA-N |
Chemical Property Profile of ASN 00692462
Property Insights of ASN 00692462
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ASN 00692462. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 00692462. Following Lipinski's Rule of Five, ASN 00692462 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ASN 00692462?
The CAS number of ASN 00692462 is 1185300-64-4.
What is the molecular formula of ASN 00692462?
The molecular formula of ASN 00692462 is C14H14N2O3S.
What is the molecular weight of ASN 00692462?
The molecular weight of ASN 00692462 is 290.0725 g/mol.
Where can I buy ASN 00692462?
You can request a quote for ASN 00692462 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ASN 00692462?
Yes, CoreyChem provides custom synthesis services for ASN 00692462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.