beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester
TL;DR: beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester (CAS 19476-81-4) is a chemical compound with molecular formula C11H22NO5PS2 and molecular weight 343.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]propanoate
Also Known As: beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester, ethyl 3-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]propanoate, N-(((Diethoxyphosphinothioyl)thio)acetyl)-beta-alanine ethyl ester, N-[[(Diethoxyphosphinothioyl)thio]acetyl]-beta-alanine ethyl ester, beta-Alanine, N-(mercaptoacetyl)-, ethyl ester, S-ester with O,O-diethyl phosphorodithioate
| Molecular Formula | C11H22NO5PS2 |
|---|---|
| Molecular Weight | 343.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 343.0677 |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 19476-81-4 |
|---|---|
| SMILES | CCOC(=O)CCNC(=O)CSP(=S)(OCC)OCC |
| InChIKey | LZSNQFIVLHUVDL-UHFFFAOYSA-N |
Product Overview
beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester (CAS 19476-81-4), with molecular formula C11H22NO5PS2 and molecular weight 343.07 g/mol. IUPAC: ethyl 3-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]propanoate.
Chemical Property Profile of beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester
Property Insights of beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester. Following Lipinski's Rule of Five, beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester has 1 hydrogen bond donor(s) and 7 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 beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester?
The CAS number of beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester is 19476-81-4.
What is the molecular formula of beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester?
The molecular formula of beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester is C11H22NO5PS2.
What is the molecular weight of beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester?
The molecular weight of beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester is 343.07 g/mol.
Where can I buy beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester?
You can request a quote for beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.