BAS 00264551
TL;DR: BAS 00264551 (CAS 62159-37-9) is a chemical compound with molecular formula C15H17NO5S and molecular weight 323.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: BAS 00264551, jf}aR@LZlxmPAFRJJIIJJH{IPeE^jVjfZZfhBGh, (E)-4-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-4-oxobut-2-enoic acid, F0016-0137, 4-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid
| Molecular Formula | C15H17NO5S |
|---|---|
| Molecular Weight | 323.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.08273 |
| Heavy Atoms | 22 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 62159-37-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C=C/C(=O)O |
| InChIKey | PYNITJGYUNEGPQ-BQYQJAHWSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BAS 00264551 (CAS 62159-37-9), with molecular formula C15H17NO5S and molecular weight 323.08 g/mol. IUPAC: (E)-4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of BAS 00264551
Property Insights of BAS 00264551
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00264551. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00264551. Following Lipinski's Rule of Five, BAS 00264551 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 00264551?
The CAS number of BAS 00264551 is 62159-37-9.
What is the molecular formula of BAS 00264551?
The molecular formula of BAS 00264551 is C15H17NO5S.
What is the molecular weight of BAS 00264551?
The molecular weight of BAS 00264551 is 323.08 g/mol.
Where can I buy BAS 00264551?
You can request a quote for BAS 00264551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00264551?
Yes, KEHONG BIO provides custom synthesis services for BAS 00264551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.