5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester
TL;DR: 5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester (CAS 448915-00-2) is a chemical compound with molecular formula C16H14FNO5S and molecular weight 351.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: BAS 01540734, 5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester, methyl 2-[(4-fluorophenyl)carbonylamino]-5-(methoxycarbonyl)-4-methylthiophene -3-carboxylate
| Molecular Formula | C16H14FNO5S |
|---|---|
| Molecular Weight | 351.06 g/mol |
| LogP | 3.02112 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.05768 |
| Heavy Atoms | 24 |
| Complexity | 797.54425 |
Chemical Identifiers
| CAS Number | 448915-00-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)F)C(=O)OC |
Product Overview
5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester (CAS 448915-00-2), with molecular formula C16H14FNO5S and molecular weight 351.06 g/mol. IUPAC: dimethyl 5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester
Property Insights of 5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester
The XLogP value of 3.02112 indicates that 5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester. Following Lipinski's Rule of Five, 5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester has 1 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 5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester?
The CAS number of 5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester is 448915-00-2.
What is the molecular formula of 5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester?
The molecular formula of 5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester is C16H14FNO5S.
What is the molecular weight of 5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester?
The molecular weight of 5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester is 351.06 g/mol.
Where can I buy 5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester?
You can request a quote for 5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.