BAS 00850873
TL;DR: BAS 00850873 (CAS 308293-39-2) is a chemical compound with molecular formula C19H20N2O4S and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobut-2-enoate
Also Known As: BAS 00850873, BIM-0042240.P001, ethyl (E)-4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobut-2-enoate, ethyl 4-{[3-(aminocarbonyl)-5-benzyl-4-methyl-2-thienyl]amino}-4-oxo-2-butenoate, ethyl (2E)-3-{N-[3-carbamoyl-4-methyl-5-benzyl(2-thienyl)]carbamoyl}prop-2-eno ate
| Molecular Formula | C19H20N2O4S |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 2.80402 |
| Topological Polar Surface Area | 98.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.11438 |
| Heavy Atoms | 26 |
| Complexity | 840.72406 |
Chemical Identifiers
| CAS Number | 308293-39-2 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)NC1=C(C(=C(S1)CC2=CC=CC=C2)C)C(=O)N |
Product Overview
BAS 00850873 (CAS 308293-39-2), with molecular formula C19H20N2O4S and molecular weight 372.11 g/mol. IUPAC: ethyl (E)-4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobut-2-enoate.
Chemical Property Profile of BAS 00850873
Property Insights of BAS 00850873
The XLogP value of 2.80402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00850873. The TPSA of 98.49 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00850873. Following Lipinski's Rule of Five, BAS 00850873 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 BAS 00850873?
The CAS number of BAS 00850873 is 308293-39-2.
What is the molecular formula of BAS 00850873?
The molecular formula of BAS 00850873 is C19H20N2O4S.
What is the molecular weight of BAS 00850873?
The molecular weight of BAS 00850873 is 372.11 g/mol.
Where can I buy BAS 00850873?
You can request a quote for BAS 00850873 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00850873?
Yes, KEHONG BIO provides custom synthesis services for BAS 00850873 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.