BIM-0017828.P001
TL;DR: BIM-0017828.P001 (CAS 354551-68-1) is a chemical compound with molecular formula C16H19NO5S and molecular weight 337.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-oxo-4-[(3-propoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]but-2-enoic acid
Also Known As: BIM-0017828.P001, 4-oxo-4-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-2-butenoic acid, (E)-4-oxo-4-((3-(propoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)but-2-enoic acid, (E)-4-oxo-4-[(3-propoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]but-2-enoic acid, benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro-, 3-propyl ester
| Molecular Formula | C16H19NO5S |
|---|---|
| Molecular Weight | 337.10 g/mol |
| LogP | 2.773 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.0984 |
| Heavy Atoms | 23 |
| Complexity | 647.1409 |
Chemical Identifiers
| CAS Number | 354551-68-1 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C=C/C(=O)O |
Product Overview
BIM-0017828.P001 (CAS 354551-68-1), with molecular formula C16H19NO5S and molecular weight 337.10 g/mol. IUPAC: (E)-4-oxo-4-[(3-propoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]but-2-enoic acid.
Chemical Property Profile of BIM-0017828.P001
Property Insights of BIM-0017828.P001
The XLogP value of 2.773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0017828.P001. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0017828.P001. Following Lipinski's Rule of Five, BIM-0017828.P001 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
Frequently Asked Questions
What is the CAS number of BIM-0017828.P001?
The CAS number of BIM-0017828.P001 is 354551-68-1.
What is the molecular formula of BIM-0017828.P001?
The molecular formula of BIM-0017828.P001 is C16H19NO5S.
What is the molecular weight of BIM-0017828.P001?
The molecular weight of BIM-0017828.P001 is 337.10 g/mol.
Where can I buy BIM-0017828.P001?
You can request a quote for BIM-0017828.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0017828.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0017828.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.