1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate
TL;DR: 1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate (CAS 350997-27-2) is a chemical compound with molecular formula C14H14BrNO2S and molecular weight 338.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate
Also Known As: isopropyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate, propan-2-yl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate, 1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate, isopropyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate, isopropyl2-amino-4-(4-bromophenyl)thiophene-3-carboxylate
| Molecular Formula | C14H14BrNO2S |
|---|---|
| Molecular Weight | 338.99 g/mol |
| LogP | 4.325 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.99286 |
| Heavy Atoms | 19 |
| Complexity | 589.99347 |
Chemical Identifiers
| CAS Number | 350997-27-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)N |
Product Overview
1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate (CAS 350997-27-2), with molecular formula C14H14BrNO2S and molecular weight 338.99 g/mol. IUPAC: propan-2-yl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate.
Chemical Property Profile of 1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate
Property Insights of 1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate
The XLogP value of 4.325 indicates that 1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.32 Ų, 1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate 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 1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate?
The CAS number of 1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate is 350997-27-2.
What is the molecular formula of 1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate?
The molecular formula of 1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate is C14H14BrNO2S.
What is the molecular weight of 1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate?
The molecular weight of 1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate is 338.99 g/mol.
Where can I buy 1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate?
You can request a quote for 1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.