Methyl 3-amino-4-cyanothiophene-2-carboxylate
TL;DR: Methyl 3-amino-4-cyanothiophene-2-carboxylate (CAS 102123-28-4) is a chemical compound with molecular formula C7H6N2O2S and molecular weight 182.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-4-cyanothiophene-2-carboxylate
Also Known As: methyl 3-amino-4-cyanothiophene-2-carboxylate, Methyl3-amino-4-cyanothiophene-2-carboxylate, 2-Thiophenecarboxylic acid, 3-amino-4-cyano-, methyl ester, Methyl 3-amino-4-cyano thiophene-2-carboxylate, 2-Thiophenecarboxylicacid, 3-amino-4-cyano-, methyl ester
| Molecular Formula | C7H6N2O2S |
|---|---|
| Molecular Weight | 182.01 g/mol |
| LogP | 0.98858 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.015 |
| Heavy Atoms | 12 |
| Complexity | 350.77863 |
Chemical Identifiers
| CAS Number | 102123-28-4 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CS1)C#N)N |
Product Overview
Methyl 3-amino-4-cyanothiophene-2-carboxylate (CAS 102123-28-4), with molecular formula C7H6N2O2S and molecular weight 182.01 g/mol. IUPAC: methyl 3-amino-4-cyanothiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-amino-4-cyanothiophene-2-carboxylate
Property Insights of Methyl 3-amino-4-cyanothiophene-2-carboxylate
The XLogP value of 0.98858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-4-cyanothiophene-2-carboxylate. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-amino-4-cyanothiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-amino-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 Methyl 3-amino-4-cyanothiophene-2-carboxylate?
The CAS number of Methyl 3-amino-4-cyanothiophene-2-carboxylate is 102123-28-4.
What is the molecular formula of Methyl 3-amino-4-cyanothiophene-2-carboxylate?
The molecular formula of Methyl 3-amino-4-cyanothiophene-2-carboxylate is C7H6N2O2S.
What is the molecular weight of Methyl 3-amino-4-cyanothiophene-2-carboxylate?
The molecular weight of Methyl 3-amino-4-cyanothiophene-2-carboxylate is 182.01 g/mol.
Where can I buy Methyl 3-amino-4-cyanothiophene-2-carboxylate?
You can request a quote for Methyl 3-amino-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 Methyl 3-amino-4-cyanothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-4-cyanothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.