Methyl 3-amino-3-(2-thienyl)propanoate
TL;DR: Methyl 3-amino-3-(2-thienyl)propanoate (CAS 1586-41-0) is a chemical compound with molecular formula C8H11NO2S and molecular weight 185.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-3-thiophen-2-ylpropanoate
Also Known As: methyl 3-amino-3-(2-thienyl)propanoate, methyl 3-amino-3-(thiophen-2-yl)propanoate, pentaphenyl-disilane, methylaminothienylpropanoate, methyl 3-amino-3-thiophen-2-ylpropanoate
| Molecular Formula | C8H11NO2S |
|---|---|
| Molecular Weight | 185.05 g/mol |
| LogP | 1.311 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.05106 |
| Heavy Atoms | 12 |
| Complexity | 245.57036 |
Chemical Identifiers
| CAS Number | 1586-41-0 |
|---|---|
| SMILES | COC(=O)CC(C1=CC=CS1)N |
Product Overview
Methyl 3-amino-3-(2-thienyl)propanoate (CAS 1586-41-0), with molecular formula C8H11NO2S and molecular weight 185.05 g/mol. IUPAC: methyl 3-amino-3-thiophen-2-ylpropanoate.
Chemical Property Profile of Methyl 3-amino-3-(2-thienyl)propanoate
Property Insights of Methyl 3-amino-3-(2-thienyl)propanoate
The XLogP value of 1.311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-3-(2-thienyl)propanoate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 3-amino-3-(2-thienyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-amino-3-(2-thienyl)propanoate 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 Methyl 3-amino-3-(2-thienyl)propanoate?
The CAS number of Methyl 3-amino-3-(2-thienyl)propanoate is 1586-41-0.
What is the molecular formula of Methyl 3-amino-3-(2-thienyl)propanoate?
The molecular formula of Methyl 3-amino-3-(2-thienyl)propanoate is C8H11NO2S.
What is the molecular weight of Methyl 3-amino-3-(2-thienyl)propanoate?
The molecular weight of Methyl 3-amino-3-(2-thienyl)propanoate is 185.05 g/mol.
Where can I buy Methyl 3-amino-3-(2-thienyl)propanoate?
You can request a quote for Methyl 3-amino-3-(2-thienyl)propanoate 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-3-(2-thienyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-3-(2-thienyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.