Phosphorodiamidothioic acid, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) ester
TL;DR: Phosphorodiamidothioic acid, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) ester (CAS 76592-85-3) is a chemical compound with molecular formula C7H17N2O2PS and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[butan-2-ylsulfanyl(methylamino)phosphoryl]-N-methylformamide
Also Known As: AI3-29530, RH-49,358, Phosphorodiamidothioic acid, N-formyl-N,N'-dimethyl-, S-(1-methylpropyl) ester, Phosphorodiamidothioic acid, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) ester, S-(1-Methylpropyl) N,N'-dimethyl-N-formylphosphorodiamidothioate
| Molecular Formula | C7H17N2O2PS |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.07483 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 76592-85-3 |
|---|---|
| SMILES | CCC(C)SP(=O)(NC)N(C)C=O |
| InChIKey | SEZWCMLDPHYQQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorodiamidothioic acid, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) ester (CAS 76592-85-3), with molecular formula C7H17N2O2PS and molecular weight 224.07 g/mol. IUPAC: N-[butan-2-ylsulfanyl(methylamino)phosphoryl]-N-methylformamide.
Chemical Property Profile of Phosphorodiamidothioic acid, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) ester
Property Insights of Phosphorodiamidothioic acid, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorodiamidothioic acid, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) ester. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodiamidothioic acid, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) ester. Following Lipinski's Rule of Five, Phosphorodiamidothioic acid, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) 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 Phosphorodiamidothioic acid, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) ester?
The CAS number of Phosphorodiamidothioic acid, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) ester is 76592-85-3.
What is the molecular formula of Phosphorodiamidothioic acid, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) ester?
The molecular formula of Phosphorodiamidothioic acid, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) ester is C7H17N2O2PS.
What is the molecular weight of Phosphorodiamidothioic acid, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) ester?
The molecular weight of Phosphorodiamidothioic acid, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) ester is 224.07 g/mol.
Where can I buy Phosphorodiamidothioic acid, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) ester?
You can request a quote for Phosphorodiamidothioic acid, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) 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, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodiamidothioic acid, N,N'-dimethyl-N-formyl-, S-(1-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.