Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate
TL;DR: Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate (CAS 91076-96-9) is a chemical compound with molecular formula C13H12BrNO2S and molecular weight 324.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate
Also Known As: ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate, 3-Amino-5-(4-bromo-phenyl)-thiophene-2-carboxylic acid ethyl ester, ethyl3-amino-5-(4-bromophenyl)thiophene-2-carboxylate, ethyl 3-azanyl-5-(4-bromophenyl)thiophene-2-carboxylate, ETHYL 3-AMINO-5-(4-BROMOPHENYL)-2-THIOPHENECARBOXYLATE
| Molecular Formula | C13H12BrNO2S |
|---|---|
| Molecular Weight | 324.98 g/mol |
| LogP | 3.9365 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.9772 |
| Heavy Atoms | 18 |
| Complexity | 562.87024 |
Chemical Identifiers
| CAS Number | 91076-96-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Br)N |
Product Overview
Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate (CAS 91076-96-9), with molecular formula C13H12BrNO2S and molecular weight 324.98 g/mol. IUPAC: ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate.
Chemical Property Profile of Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate
Property Insights of Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate
The XLogP value of 3.9365 indicates that Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.32 Ų, Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-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 Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate?
The CAS number of Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate is 91076-96-9.
What is the molecular formula of Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate?
The molecular formula of Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate is C13H12BrNO2S.
What is the molecular weight of Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate?
The molecular weight of Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate is 324.98 g/mol.
Where can I buy Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate?
You can request a quote for Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.