Methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate
TL;DR: Methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate (CAS 91076-95-8) is a chemical compound with molecular formula C12H10BrNO2S and molecular weight 310.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate
Also Known As: methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate, BAS 00613345, 2-Amino-4-(4-bromo-phenyl)-thiophene-3-carboxylic acid methyl ester, 4-(2-hydroxyethylsulfanyldiazenyl)benzoic acid, Methyl 2-amino-4-(4-bromo-phenyl)-thiophene-3-carboxylate
| Molecular Formula | C12H10BrNO2S |
|---|---|
| Molecular Weight | 310.96 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.96155 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 91076-95-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)N |
| InChIKey | FTCYGPXJXBDSIU-UHFFFAOYSA-N |
Product Overview
Methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate (CAS 91076-95-8), with molecular formula C12H10BrNO2S and molecular weight 310.96 g/mol. IUPAC: methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate
Property Insights of Methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate
The XLogP value of 4.0 indicates that Methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 Methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate?
The CAS number of Methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate is 91076-95-8.
What is the molecular formula of Methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate?
The molecular formula of Methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate is C12H10BrNO2S.
What is the molecular weight of Methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate?
The molecular weight of Methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate is 310.96 g/mol.
Where can I buy Methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate?
You can request a quote for Methyl 2-amino-4-(4-bromophenyl)thiophene-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-amino-4-(4-bromophenyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.