Diisopropyl benzothioylamidophosphate
TL;DR: Diisopropyl benzothioylamidophosphate (CAS 71039-21-9) is a chemical compound with molecular formula C13H20NO3PS and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-di(propan-2-yloxy)phosphorylbenzenecarbothioamide
Also Known As: Diisopropyl benzothioylamidophosphate, Diisopropyl benzothioylamidophosphate #, N-(Diisopropoxyphosphinyl)thiobenzamide, N-(diisopropoxyphosphoryl)thiobenzamide, N-(Diisopropoxyphosphinyl)benzothioamide
| Molecular Formula | C13H20NO3PS |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 3.9098 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.09015 |
| Heavy Atoms | 19 |
| Complexity | 448.21594 |
Chemical Identifiers
| CAS Number | 71039-21-9 |
|---|---|
| SMILES | CC(C)OP(=O)(NC(=S)C1=CC=CC=C1)OC(C)C |
Product Overview
Diisopropyl benzothioylamidophosphate (CAS 71039-21-9), with molecular formula C13H20NO3PS and molecular weight 301.09 g/mol. IUPAC: N-di(propan-2-yloxy)phosphorylbenzenecarbothioamide.
Chemical Property Profile of Diisopropyl benzothioylamidophosphate
Property Insights of Diisopropyl benzothioylamidophosphate
The XLogP value of 3.9098 indicates that Diisopropyl benzothioylamidophosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, Diisopropyl benzothioylamidophosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisopropyl benzothioylamidophosphate 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 Diisopropyl benzothioylamidophosphate?
The CAS number of Diisopropyl benzothioylamidophosphate is 71039-21-9.
What is the molecular formula of Diisopropyl benzothioylamidophosphate?
The molecular formula of Diisopropyl benzothioylamidophosphate is C13H20NO3PS.
What is the molecular weight of Diisopropyl benzothioylamidophosphate?
The molecular weight of Diisopropyl benzothioylamidophosphate is 301.09 g/mol.
Where can I buy Diisopropyl benzothioylamidophosphate?
You can request a quote for Diisopropyl benzothioylamidophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopropyl benzothioylamidophosphate?
Yes, KEHONG BIO provides custom synthesis services for Diisopropyl benzothioylamidophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.