Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester
TL;DR: Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester (CAS 54473-41-5) is a chemical compound with molecular formula C6H13ClNO3PS and molecular weight 245.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[methoxy(methylsulfanyl)phosphoryl]butanamide
Also Known As: Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester, (4-Chloro-1-oxobutyl)phosphoramidothioic acid O,S-dimethyl ester, Phosphoramidothioic acid, (4-chloro-1-oxobutyl)-, O,S-dimethyl ester, 4-chloro-N-[methoxy(methylsulfanyl)phosphoryl]butanamide, 4-Chloro-N-[methoxy(methylsulfanyl)phosphoryl]butanimidic acid
| Molecular Formula | C6H13ClNO3PS |
|---|---|
| Molecular Weight | 245.00 g/mol |
| LogP | 2.2391 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 245.00423 |
| Heavy Atoms | 13 |
| Complexity | 206.05605 |
Chemical Identifiers
| CAS Number | 54473-41-5 |
|---|---|
| SMILES | COP(=O)(NC(=O)CCCCl)SC |
Product Overview
Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester (CAS 54473-41-5), with molecular formula C6H13ClNO3PS and molecular weight 245.00 g/mol. IUPAC: 4-chloro-N-[methoxy(methylsulfanyl)phosphoryl]butanamide.
Chemical Property Profile of Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester
Property Insights of Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester
The XLogP value of 2.2391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester has 1 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 Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester?
The CAS number of Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester is 54473-41-5.
What is the molecular formula of Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester?
The molecular formula of Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester is C6H13ClNO3PS.
What is the molecular weight of Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester?
The molecular weight of Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester is 245.00 g/mol.
Where can I buy Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester?
You can request a quote for Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoramidothioic acid, (4-chlorobutyryl)-, O,S-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.