Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester
TL;DR: Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester (CAS 18545-48-7) is a chemical compound with molecular formula C8H21N2OPS and molecular weight 224.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[butylsulfanyl(dimethylamino)phosphoryl]-N-methylmethanamine
Also Known As: Shell SD-10268, S-Butyl tetramethylphosphorodiamidothioate, Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester, N-[butylsulfanyl(dimethylamino)phosphoryl]-N-methylmethanamine, [(butylsulfanyl)(dimethylamino)phosphoryl]dimethylamine
| Molecular Formula | C8H21N2OPS |
|---|---|
| Molecular Weight | 224.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 48.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.11122 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 18545-48-7 |
|---|---|
| SMILES | CCCCSP(=O)(N(C)C)N(C)C |
| InChIKey | RQAYRFMBTPCBDI-UHFFFAOYSA-N |
Product Overview
Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester (CAS 18545-48-7), with molecular formula C8H21N2OPS and molecular weight 224.11 g/mol. IUPAC: N-[butylsulfanyl(dimethylamino)phosphoryl]-N-methylmethanamine.
Chemical Property Profile of Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester
Property Insights of Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester. With a topological polar surface area (TPSA) of 48.9 Ų, Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester has 0 hydrogen bond donor(s) and 4 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 Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester?
The CAS number of Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester is 18545-48-7.
What is the molecular formula of Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester?
The molecular formula of Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester is C8H21N2OPS.
What is the molecular weight of Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester?
The molecular weight of Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester is 224.11 g/mol.
Where can I buy Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester?
You can request a quote for Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.