METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE
TL;DR: METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE (CAS 444906-75-6) is a chemical compound with molecular formula C22H19F2NO3S and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2,6-difluorobenzoyl)amino]-4-(4-ethylphenyl)-5-methylthiophene-3-carboxylate
Also Known As: METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE, methyl 2-[(2,6-difluorobenzoyl)amino]-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate, methyl 2-[(2,6-difluorobenzoyl)amino]-4-(4-ethylphenyl)-5-methylthiophene-3-carboxylate, methyl 2-[(2,6-difluorophenyl)carbonylamino]-4-(4-ethylphenyl)-5-methylthiophe ne-3-carboxylate, methyl 2-{[(2,6-difluorophenyl)carbonyl]amino}-4-(4-ethylphenyl)-5-methylthiophene-3-carboxylate
| Molecular Formula | C22H19F2NO3S |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 5.60302 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.10538 |
| Heavy Atoms | 29 |
| Complexity | 1054.1566 |
Chemical Identifiers
| CAS Number | 444906-75-6 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=C(C=CC=C3F)F)C |
Product Overview
METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE (CAS 444906-75-6), with molecular formula C22H19F2NO3S and molecular weight 415.11 g/mol. IUPAC: methyl 2-[(2,6-difluorobenzoyl)amino]-4-(4-ethylphenyl)-5-methylthiophene-3-carboxylate.
Chemical Property Profile of METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE
Property Insights of METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE
The XLogP value of 5.60302 indicates that METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE?
The CAS number of METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE is 444906-75-6.
What is the molecular formula of METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE?
The molecular formula of METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE is C22H19F2NO3S.
What is the molecular weight of METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE?
The molecular weight of METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE is 415.11 g/mol.
Where can I buy METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE?
You can request a quote for METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 2-(2,6-DIFLUOROBENZAMIDO)-4-(4-ETHYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.