BIM-0049743.P001
TL;DR: BIM-0049743.P001 (CAS 351154-87-5) is a chemical compound with molecular formula C16H12ClNO5S and molecular weight 365.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[[4-(2-chlorophenyl)-3-methoxycarbonylthiophen-2-yl]amino]-4-oxobut-2-enoic acid
Also Known As: BIM-0049743.P001, (E)-4-[[4-(2-chlorophenyl)-3-methoxycarbonylthiophen-2-yl]amino]-4-oxobut-2-enoic acid, 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-4-(2-chlorophenyl)-, 3-methyl ester, (2E)-4-{[4-(2-chlorophenyl)-3-(methoxycarbonyl)thiophen-2-yl]amino}-4-oxobut-2-enoic acid, (2E)-3-{N-[4-(2-chlorophenyl)-3-(methoxycarbonyl)(2-thienyl)]carbamoyl}prop-2- enoic acid
| Molecular Formula | C16H12ClNO5S |
|---|---|
| Molecular Weight | 365.01 g/mol |
| LogP | 3.4344 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.01248 |
| Heavy Atoms | 24 |
| Complexity | 827.6253 |
Chemical Identifiers
| CAS Number | 351154-87-5 |
|---|---|
| SMILES | COC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)/C=C/C(=O)O |
Product Overview
BIM-0049743.P001 (CAS 351154-87-5), with molecular formula C16H12ClNO5S and molecular weight 365.01 g/mol. IUPAC: (E)-4-[[4-(2-chlorophenyl)-3-methoxycarbonylthiophen-2-yl]amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of BIM-0049743.P001
Property Insights of BIM-0049743.P001
The XLogP value of 3.4344 indicates that BIM-0049743.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0049743.P001. Following Lipinski's Rule of Five, BIM-0049743.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-0049743.P001?
The CAS number of BIM-0049743.P001 is 351154-87-5.
What is the molecular formula of BIM-0049743.P001?
The molecular formula of BIM-0049743.P001 is C16H12ClNO5S.
What is the molecular weight of BIM-0049743.P001?
The molecular weight of BIM-0049743.P001 is 365.01 g/mol.
Where can I buy BIM-0049743.P001?
You can request a quote for BIM-0049743.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0049743.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0049743.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.