Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate
TL;DR: Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate (CAS 672287-00-2) is a chemical compound with molecular formula C21H19BrN2O3S and molecular weight 458.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate
Also Known As: Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate
| Molecular Formula | C21H19BrN2O3S |
|---|---|
| Molecular Weight | 458.03 g/mol |
| LogP | 5.1126 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.02997 |
| Heavy Atoms | 28 |
| Complexity | 984.8902 |
Chemical Identifiers
| CAS Number | 672287-00-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1N)C(=O)C2=CC=C(C=C2)Br)NCC3=CC=CC=C3 |
Product Overview
Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate (CAS 672287-00-2), with molecular formula C21H19BrN2O3S and molecular weight 458.03 g/mol. IUPAC: ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate
Property Insights of Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate
The XLogP value of 5.1126 indicates that Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate?
The CAS number of Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate is 672287-00-2.
What is the molecular formula of Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate?
The molecular formula of Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate is C21H19BrN2O3S.
What is the molecular weight of Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate?
The molecular weight of Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate is 458.03 g/mol.
Where can I buy Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate?
You can request a quote for Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)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 Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-2-(benzylamino)-5-(4-bromobenzoyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.