3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester
TL;DR: 3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester (CAS 69912-94-3) is a chemical compound with molecular formula C10H13NO3S and molecular weight 227.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-5-(2-methylpropanoyl)thiophene-3-carboxylate
Also Known As: 2-Amino-3-(carbomethoxy)-5-isobutyrylthiophene, 3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester, methyl 2-amino-5-(2-methylpropanoyl)thiophene-3-carboxylate, 2-Amino-5-(2-methyl-1-oxopropyl)-3-thiophenecarboxylic acid methyl ester, RefChem:505465
| Molecular Formula | C10H13NO3S |
|---|---|
| Molecular Weight | 227.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.06161 |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 69912-94-3 |
|---|---|
| SMILES | CC(C)C(=O)C1=CC(=C(S1)N)C(=O)OC |
| InChIKey | JIJDUOOFWYFDAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester (CAS 69912-94-3), with molecular formula C10H13NO3S and molecular weight 227.06 g/mol. IUPAC: methyl 2-amino-5-(2-methylpropanoyl)thiophene-3-carboxylate.
Chemical Property Profile of 3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester
Property Insights of 3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester. Following Lipinski's Rule of Five, 3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester 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 3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester?
The CAS number of 3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester is 69912-94-3.
What is the molecular formula of 3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester?
The molecular formula of 3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester is C10H13NO3S.
What is the molecular weight of 3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester?
The molecular weight of 3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester is 227.06 g/mol.
Where can I buy 3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester?
You can request a quote for 3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiophenecarboxylic acid, 2-amino-5-(2-methyl-1-oxopropyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.