O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate
TL;DR: O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate (CAS 27949-52-6) is a chemical compound with molecular formula C13H21O2PS2 and molecular weight 304.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[butoxy(ethylsulfanyl)phosphoryl]sulfanylmethylbenzene
Also Known As: Conen, BEBP, ()-Conen, (+/-)-Conen, S-Benzyl-butyl-S-ethyl dithiophosphate
| Molecular Formula | C13H21O2PS2 |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 304.07205 |
| Heavy Atoms | 18 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 27949-52-6 |
|---|---|
| SMILES | CCCCOP(=O)(SCC)SCC1=CC=CC=C1 |
| InChIKey | WRIYPTGFYKBSFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate (CAS 27949-52-6), with molecular formula C13H21O2PS2 and molecular weight 304.07 g/mol. IUPAC: [butoxy(ethylsulfanyl)phosphoryl]sulfanylmethylbenzene.
Chemical Property Profile of O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate
Property Insights of O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate
The XLogP value of 3.4 indicates that O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate. Following Lipinski's Rule of Five, O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate 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 O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate?
The CAS number of O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate is 27949-52-6.
What is the molecular formula of O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate?
The molecular formula of O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate is C13H21O2PS2.
What is the molecular weight of O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate?
The molecular weight of O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate is 304.07 g/mol.
Where can I buy O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate?
You can request a quote for O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate?
Yes, KEHONG BIO provides custom synthesis services for O-Butyl S-ethyl S-(phenylmethyl) phosphorodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.