L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, ethyl ester
TL;DR: L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, ethyl ester (CAS 68030-57-9) is a chemical compound with molecular formula C17H32N2O5PS2+ and molecular weight 439.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxymethyl-[2-[[(2S)-1-[[(2S)-1-ethoxy-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium
Also Known As: L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, ethyl ester, ethoxymethyl-[2-[[(2S)-1-[[(2S)-1-ethoxy-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium, Ethyl N-[(10S)-8,11-dihydroxy-10-(propan-2-yl)-5-sulfanylidene-3-oxa-6-thia-9-aza-5-phosphoniaundec-8-en-11-ylidene]-L-valinate, Ethyl N-[8,11-dihydroxy-10-(propan-2-yl)-5-sulfanylidene-3-oxa-6-thia-9-aza-5-phosphoniaundec-8-en-11-ylidene]valinate
| Molecular Formula | C17H32N2O5PS2+ |
|---|---|
| Molecular Weight | 439.15 g/mol |
| LogP | 2.4171 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 439.14902 |
| Heavy Atoms | 27 |
| Complexity | 517.55225 |
Chemical Identifiers
| CAS Number | 68030-57-9 |
|---|---|
| SMILES | CCOC[P+](=S)SCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCC |
Product Overview
L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, ethyl ester (CAS 68030-57-9), with molecular formula C17H32N2O5PS2+ and molecular weight 439.15 g/mol. IUPAC: ethoxymethyl-[2-[[(2S)-1-[[(2S)-1-ethoxy-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium.
Chemical Property Profile of L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, ethyl ester
Property Insights of L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, ethyl ester
The XLogP value of 2.4171 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, ethyl ester. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, ethyl ester. Following Lipinski's Rule of Five, L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, 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 L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, ethyl ester?
The CAS number of L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, ethyl ester is 68030-57-9.
What is the molecular formula of L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, ethyl ester?
The molecular formula of L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, ethyl ester is C17H32N2O5PS2+.
What is the molecular weight of L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, ethyl ester?
The molecular weight of L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, ethyl ester is 439.15 g/mol.
Where can I buy L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, ethyl ester?
You can request a quote for L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-valyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.