dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate
TL;DR: dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate (CAS 828287-12-3) is a chemical compound with molecular formula C17H14BrF2NO6S and molecular weight 476.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate, Dimethyl 5-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate, dimethyl 5-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate, DIMETHYL 5-{[5-BROMO-2-(DIFLUOROMETHOXY)BENZOYL]AMINO}-3-METHYL-2,4-THIOPHENEDICARBOXYLATE
| Molecular Formula | C17H14BrF2NO6S |
|---|---|
| Molecular Weight | 476.97 g/mol |
| LogP | 4.24592 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.96933 |
| Heavy Atoms | 28 |
| Complexity | 930.6117 |
Chemical Identifiers
| CAS Number | 828287-12-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=C(C=CC(=C2)Br)OC(F)F)C(=O)OC |
Product Overview
dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate (CAS 828287-12-3), with molecular formula C17H14BrF2NO6S and molecular weight 476.97 g/mol. IUPAC: dimethyl 5-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate
Property Insights of dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.24592 indicates that dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 7 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 dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate is 828287-12-3.
What is the molecular formula of dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate is C17H14BrF2NO6S.
What is the molecular weight of dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate is 476.97 g/mol.
Where can I buy dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-(5-bromo-2-(difluoromethoxy)benzamido)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.