二苯基异硫代膦酸酯
TL;DR: 二苯基异硫代膦酸酯 (CAS 5401-14-9) is a chemical compound with molecular formula C13H10NO3PS and molecular weight 291.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二苯基异硫代膦酸酯
[isothiocyanato(phenoxy)phosphoryl]oxybenzene
Also Known As: Diphenoxyphosphinyl isothiocyanate, Diphenyl phosphoroisothiocyanatidate, DPP-ITC, Diphenyl (isothiocyanato)phosphate, Phosphoroisothiocyanatidic acid, diphenyl ester
| Molecular Formula | C13H10NO3PS |
|---|---|
| Molecular Weight | 291.01 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.0119 |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 5401-14-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OP(=O)(N=C=S)OC2=CC=CC=C2 |
| InChIKey | QYGWFFSAYBRMHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二苯基异硫代膦酸酯 (CAS 5401-14-9), with molecular formula C13H10NO3PS and molecular weight 291.01 g/mol. IUPAC: [isothiocyanato(phenoxy)phosphoryl]oxybenzene.
Chemical Property Profile of 二苯基异硫代膦酸酯
Property Insights of 二苯基异硫代膦酸酯
The XLogP value of 4.8 indicates that 二苯基异硫代膦酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 二苯基异硫代膦酸酯. Following Lipinski's Rule of Five, 二苯基异硫代膦酸酯 has 0 hydrogen bond donor(s) and 5 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 二苯基异硫代膦酸酯?
The CAS number of 二苯基异硫代膦酸酯 is 5401-14-9.
What is the molecular formula of 二苯基异硫代膦酸酯?
The molecular formula of 二苯基异硫代膦酸酯 is C13H10NO3PS.
What is the molecular weight of 二苯基异硫代膦酸酯?
The molecular weight of 二苯基异硫代膦酸酯 is 291.01 g/mol.
Where can I buy 二苯基异硫代膦酸酯?
You can request a quote for 二苯基异硫代膦酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苯基异硫代膦酸酯?
Yes, KEHONG BIO provides custom synthesis services for 二苯基异硫代膦酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.