S-Methyl P-butylphosphonamidothioate
TL;DR: S-Methyl P-butylphosphonamidothioate (CAS 67242-38-0) is a chemical compound with molecular formula C5H14NOPS and molecular weight 167.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[amino(methylsulfanyl)phosphoryl]butane
Also Known As: S-Methyl P-butylphosphonamidothioate, Butylthiophosphonamidic acid, S-methyl ester, 1-[amino(methylsulfanyl)phosphoryl]butane, p-Butylphosphonamidothioic acid S-methyl ester, Phosphonamidothioic acid, p-butyl-, S-methyl ester
| Molecular Formula | C5H14NOPS |
|---|---|
| Molecular Weight | 167.05 g/mol |
| LogP | 2.3013 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 167.05338 |
| Heavy Atoms | 9 |
| Complexity | 117.52562 |
Chemical Identifiers
| CAS Number | 67242-38-0 |
|---|---|
| SMILES | CCCCP(=O)(N)SC |
Product Overview
S-Methyl P-butylphosphonamidothioate (CAS 67242-38-0), with molecular formula C5H14NOPS and molecular weight 167.05 g/mol. IUPAC: 1-[amino(methylsulfanyl)phosphoryl]butane.
Chemical Property Profile of S-Methyl P-butylphosphonamidothioate
Property Insights of S-Methyl P-butylphosphonamidothioate
The XLogP value of 2.3013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Methyl P-butylphosphonamidothioate. With a topological polar surface area (TPSA) of 43.09 Ų, S-Methyl P-butylphosphonamidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Methyl P-butylphosphonamidothioate has 1 hydrogen bond donor(s) and 2 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 S-Methyl P-butylphosphonamidothioate?
The CAS number of S-Methyl P-butylphosphonamidothioate is 67242-38-0.
What is the molecular formula of S-Methyl P-butylphosphonamidothioate?
The molecular formula of S-Methyl P-butylphosphonamidothioate is C5H14NOPS.
What is the molecular weight of S-Methyl P-butylphosphonamidothioate?
The molecular weight of S-Methyl P-butylphosphonamidothioate is 167.05 g/mol.
Where can I buy S-Methyl P-butylphosphonamidothioate?
You can request a quote for S-Methyl P-butylphosphonamidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Methyl P-butylphosphonamidothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Methyl P-butylphosphonamidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.