Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)-
TL;DR: Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)- (CAS 23701-30-6) 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.
2-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]-2-methylbutanoic acid
Also Known As: N-(((Diethoxyphosphinothioyl)thio)acetyl)isovaline, ISOVALINE, N-(((DIETHOXYPHOSPHINOTHIOYL)THIO)ACETYL)-, N-(Mercaptoacetyl)isovaline S-ester with O,O-diethylphosphorodithioate, N-{[(diethoxyphosphorothioyl)thio]acetyl}isovaline, Isovaline, N-(mercaptoacetyl)-, S-ester with O,O-diethyl phosphorodithioate
| Molecular Formula | C11H22NO5PS2 |
|---|---|
| Molecular Weight | 343.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 343.0677 |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 23701-30-6 |
|---|---|
| SMILES | CCC(C)(C(=O)O)NC(=O)CSP(=S)(OCC)OCC |
| InChIKey | KTXURXGAKPHLAH-UHFFFAOYSA-N |
Product Overview
Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)- (CAS 23701-30-6), with molecular formula C11H22NO5PS2 and molecular weight 343.07 g/mol. IUPAC: 2-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]-2-methylbutanoic acid.
Chemical Property Profile of Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)-
Property Insights of Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)-. The TPSA of 142.0 Ų indicates high polarity, suggesting Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)- 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 Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)-?
The CAS number of Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)- is 23701-30-6.
What is the molecular formula of Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)-?
The molecular formula of Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)- is C11H22NO5PS2.
What is the molecular weight of Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)-?
The molecular weight of Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)- is 343.07 g/mol.
Where can I buy Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)-?
You can request a quote for Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)-?
Yes, KEHONG BIO provides custom synthesis services for Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.