Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate
TL;DR: Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate (CAS 88399-80-8) is a chemical compound with molecular formula C9H9BrN2O2S and molecular weight 287.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate
Also Known As: ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate, 5-Amino-3-bromomethyl-4-cyano-thiophene-2-carboxylic acid ethyl ester, 2-THIOPHENECARBOXYLIC ACID, 5-AMINO-3-(BROMOMETHYL)-4-CYANO-, ETHYLESTER, ethyl 5-amino-3-(bromomethyl)-4-cyano-thiophene-2-carboxylate, ethyl5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate
| Molecular Formula | C9H9BrN2O2S |
|---|---|
| Molecular Weight | 287.96 g/mol |
| LogP | 2.27358 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.95682 |
| Heavy Atoms | 15 |
| Complexity | 422.4822 |
Chemical Identifiers
| CAS Number | 88399-80-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)N)C#N)CBr |
Product Overview
Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate (CAS 88399-80-8), with molecular formula C9H9BrN2O2S and molecular weight 287.96 g/mol. IUPAC: ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate.
Chemical Property Profile of Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate
Property Insights of Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate
The XLogP value of 2.27358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate has 1 hydrogen bond donor(s) and 5 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 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate?
The CAS number of Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate is 88399-80-8.
What is the molecular formula of Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate?
The molecular formula of Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate is C9H9BrN2O2S.
What is the molecular weight of Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate?
The molecular weight of Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate is 287.96 g/mol.
Where can I buy Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate?
You can request a quote for Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-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 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.