Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester
TL;DR: Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester (CAS 68030-51-3) is a chemical compound with molecular formula C12H22N2O5PS2+ and molecular weight 369.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxymethyl-[2-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxopropyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium
Also Known As: Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester, ethoxymethyl-[2-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxopropyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium, Ethyl N-(8,12-dihydroxy-5-sulfanylidene-3-oxa-6-thia-9-aza-5-phosphoniadodec-8-en-12-ylidene)glycinate
| Molecular Formula | C12H22N2O5PS2+ |
|---|---|
| Molecular Weight | 369.07 g/mol |
| LogP | 0.758 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 369.07077 |
| Heavy Atoms | 22 |
| Complexity | 395.7129 |
Chemical Identifiers
| CAS Number | 68030-51-3 |
|---|---|
| SMILES | CCOC[P+](=S)SCC(=O)NCCC(=O)NCC(=O)OCC |
Product Overview
Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester (CAS 68030-51-3), with molecular formula C12H22N2O5PS2+ and molecular weight 369.07 g/mol. IUPAC: ethoxymethyl-[2-[[3-[(2-ethoxy-2-oxoethyl)amino]-3-oxopropyl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium.
Chemical Property Profile of Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester
Property Insights of Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester
The XLogP value of 0.758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester. Following Lipinski's Rule of Five, Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-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 Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester?
The CAS number of Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester is 68030-51-3.
What is the molecular formula of Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester?
The molecular formula of Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester is C12H22N2O5PS2+.
What is the molecular weight of Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester?
The molecular weight of Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester is 369.07 g/mol.
Where can I buy Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester?
You can request a quote for Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-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 Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Glycine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-beta-alanyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.