BAS 00675462
TL;DR: BAS 00675462 (CAS 314282-35-4) is a chemical compound with molecular formula C13H13NO5S and molecular weight 295.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: BAS 00675462, (E)-4-{[3-(Methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino}-4-oxo-2-butenoic acid, 4-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid, 4-{[3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino}-4-oxo-2-butenoic acid
| Molecular Formula | C13H13NO5S |
|---|---|
| Molecular Weight | 295.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.05145 |
| Heavy Atoms | 20 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 314282-35-4 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)C=CC(=O)O |
| InChIKey | YBYMBGPWJJKZNZ-UHFFFAOYSA-N |
Product Overview
BAS 00675462 (CAS 314282-35-4), with molecular formula C13H13NO5S and molecular weight 295.05 g/mol. IUPAC: 4-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of BAS 00675462
Property Insights of BAS 00675462
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00675462. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00675462. Following Lipinski's Rule of Five, BAS 00675462 has 2 hydrogen bond donor(s) and 6 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 00675462?
The CAS number of BAS 00675462 is 314282-35-4.
What is the molecular formula of BAS 00675462?
The molecular formula of BAS 00675462 is C13H13NO5S.
What is the molecular weight of BAS 00675462?
The molecular weight of BAS 00675462 is 295.05 g/mol.
Where can I buy BAS 00675462?
You can request a quote for BAS 00675462 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00675462?
Yes, KEHONG BIO provides custom synthesis services for BAS 00675462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.