![isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate structure](/static/products/4449/444906-76-7.webp)
isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate
TL;DR: isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate (CAS 444906-76-7) 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.
propan-2-yl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)thiophene-3-carboxylate
Also Known As: isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate, propan-2-yl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)thiophene-3-carboxylate, isopropyl 2-(2,6-difluorobenzamido)-4-(m-tolyl)thiophene-3-carboxylate, PROPAN-2-YL 2-(2,6-DIFLUOROBENZAMIDO)-4-(3-METHYLPHENYL)THIOPHENE-3-CARBOXYLATE, methylethyl 2-[(2,6-difluorophenyl)carbonylamino]-4-(3-methylphenyl)thiophene- 3-carboxylate
| Molecular Formula | C22H19F2NO3S |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 5.81922 |
| 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 | 1055.4194 |
Chemical Identifiers
| CAS Number | 444906-76-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=CSC(=C2C(=O)OC(C)C)NC(=O)C3=C(C=CC=C3F)F |
Product Overview
isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate (CAS 444906-76-7), with molecular formula C22H19F2NO3S and molecular weight 415.11 g/mol. IUPAC: propan-2-yl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate
Property Insights of isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate
The XLogP value of 5.81922 indicates that isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate 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 isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate?
The CAS number of isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate is 444906-76-7.
What is the molecular formula of isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate?
The molecular formula of isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate is C22H19F2NO3S.
What is the molecular weight of isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate?
The molecular weight of isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate is 415.11 g/mol.
Where can I buy isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate?
You can request a quote for isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-[(2,6-difluorobenzoyl)amino]-4-(3-methylphenyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.