BAS 00803294
TL;DR: BAS 00803294 (CAS 304666-99-7) is a chemical compound with molecular formula C13H14N2O4S and molecular weight 294.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: BAS 00803294, (E)-4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid, 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid, 4-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxo-2-butenoic acid, (2E)-3-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)CARBAMOYL]PROP-2-ENOIC ACID
| Molecular Formula | C13H14N2O4S |
|---|---|
| Molecular Weight | 294.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.0674 |
| Heavy Atoms | 20 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 304666-99-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C=CC(=O)O)C(=O)N |
| InChIKey | MZFPKQUBJJOMRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BAS 00803294 (CAS 304666-99-7), with molecular formula C13H14N2O4S and molecular weight 294.07 g/mol. IUPAC: 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of BAS 00803294
Property Insights of BAS 00803294
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00803294. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00803294. Following Lipinski's Rule of Five, BAS 00803294 has 3 hydrogen bond donor(s) and 5 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 BAS 00803294?
The CAS number of BAS 00803294 is 304666-99-7.
What is the molecular formula of BAS 00803294?
The molecular formula of BAS 00803294 is C13H14N2O4S.
What is the molecular weight of BAS 00803294?
The molecular weight of BAS 00803294 is 294.07 g/mol.
Where can I buy BAS 00803294?
You can request a quote for BAS 00803294 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00803294?
Yes, KEHONG BIO provides custom synthesis services for BAS 00803294 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.