Daturadiol
TL;DR: Daturadiol (CAS 41491-52-5) is a chemical compound with molecular formula C11H12Cl3O2PS and molecular weight 343.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-2-chloro-1-(2,5-dichlorophenyl)ethenoxy]-ethyl-methoxy-sulfanylidene-λ5-phosphane
Also Known As: Daturadiol, AI3-27829, AI 3-27829, Phosphonothioic acid, ethyl-, O-(2-chloro-1-(2,5-dichlorophenyl)ethenyl) O-methyl ester, [(Z)-2-chloro-1-(2,5-dichlorophenyl)ethenoxy]-ethyl-methoxy-sulfanylidene-
| Molecular Formula | C11H12Cl3O2PS |
|---|---|
| Molecular Weight | 343.94 g/mol |
| LogP | 5.523 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.93613 |
| Heavy Atoms | 18 |
| Complexity | 497.06174 |
Chemical Identifiers
| CAS Number | 41491-52-5 |
|---|---|
| SMILES | CCP(=S)(OC)O/C(=C\Cl)/C1=C(C=CC(=C1)Cl)Cl |
Product Overview
Daturadiol (CAS 41491-52-5), with molecular formula C11H12Cl3O2PS and molecular weight 343.94 g/mol. IUPAC: [(Z)-2-chloro-1-(2,5-dichlorophenyl)ethenoxy]-ethyl-methoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Daturadiol
Property Insights of Daturadiol
The XLogP value of 5.523 indicates that Daturadiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, Daturadiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Daturadiol has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Daturadiol?
The CAS number of Daturadiol is 41491-52-5.
What is the molecular formula of Daturadiol?
The molecular formula of Daturadiol is C11H12Cl3O2PS.
What is the molecular weight of Daturadiol?
The molecular weight of Daturadiol is 343.94 g/mol.
Where can I buy Daturadiol?
You can request a quote for Daturadiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daturadiol?
Yes, KEHONG BIO provides custom synthesis services for Daturadiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.