beta-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester
TL;DR: beta-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester (CAS 68030-50-2) is a chemical compound with molecular formula C13H24N2O5PS2+ and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxymethyl-[2-[[(2S)-1-[(3-ethoxy-3-oxopropyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium
Also Known As: beta-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester, ethoxymethyl-[2-[[(2S)-1-[(3-ethoxy-3-oxopropyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium, Ethyl N-(8,11-dihydroxy-10-methyl-5-sulfanylidene-3-oxa-6-thia-9-aza-5-phosphoniaundec-8-en-11-ylidene)-beta-alaninate, Ethyl N-[(10S)-8,11-dihydroxy-10-methyl-5-sulfanylidene-3-oxa-6-thia-9-aza-5-phosphoniaundec-8-en-11-ylidene]-beta-alaninate
| Molecular Formula | C13H24N2O5PS2+ |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 1.1465 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 383.08643 |
| Heavy Atoms | 23 |
| Complexity | 423.16907 |
Chemical Identifiers
| CAS Number | 68030-50-2 |
|---|---|
| SMILES | CCOC[P+](=S)SCC(=O)N[C@@H](C)C(=O)NCCC(=O)OCC |
Product Overview
beta-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester (CAS 68030-50-2), with molecular formula C13H24N2O5PS2+ and molecular weight 383.09 g/mol. IUPAC: ethoxymethyl-[2-[[(2S)-1-[(3-ethoxy-3-oxopropyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium.
Chemical Property Profile of beta-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester
Property Insights of beta-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester
The XLogP value of 1.1465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester. Following Lipinski's Rule of Five, beta-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester has 2 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-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester?
The CAS number of beta-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester is 68030-50-2.
What is the molecular formula of beta-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester?
The molecular formula of beta-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester is C13H24N2O5PS2+.
What is the molecular weight of beta-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester?
The molecular weight of beta-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester is 383.09 g/mol.
Where can I buy beta-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester?
You can request a quote for beta-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, 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-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.