Ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate
TL;DR: Ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate (CAS 5169-38-0) is a chemical compound with molecular formula C8H15NO2S and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate
Also Known As: ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate, Ethyl 3-[(3-aminopropyl)sulfanyl]prop-2-enoate, Propanoic acid,3-hydroxy-2-(hydroxymethyl)-2-methyl-,ethyl ester
| Molecular Formula | C8H15NO2S |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 77.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 189.08235 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 5169-38-0 |
|---|---|
| SMILES | CCOC(=O)C=CSCCCN |
| InChIKey | JSBUFTQFXKEJPJ-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate (CAS 5169-38-0), with molecular formula C8H15NO2S and molecular weight 189.08 g/mol. IUPAC: ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate.
Chemical Property Profile of Ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate
Property Insights of Ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate 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 Ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate?
The CAS number of Ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate is 5169-38-0.
What is the molecular formula of Ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate?
The molecular formula of Ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate is C8H15NO2S.
What is the molecular weight of Ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate?
The molecular weight of Ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate is 189.08 g/mol.
Where can I buy Ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate?
You can request a quote for Ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3-aminopropylsulfanyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.