Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester
TL;DR: Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester (CAS 76568-99-5) is a chemical compound with molecular formula C16H17Cl2O3P and molecular weight 358.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1,1-dichloroethyl-(4-methylphenoxy)phosphoryl]oxy-4-methylbenzene
Also Known As: Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester, bis(4-methylphenyl) (1,1-dichloroethyl)phosphonate, 1,1-Dichloroethylphosphonic acid di(4-methylphenyl) ester, 1-[1,1-dichloroethyl-(4-methylphenoxy)phosphoryl]oxy-4-methylbenzene
| Molecular Formula | C16H17Cl2O3P |
|---|---|
| Molecular Weight | 358.03 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.02924 |
| Heavy Atoms | 22 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 76568-99-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OP(=O)(C(C)(Cl)Cl)OC2=CC=C(C=C2)C |
| InChIKey | KAZVJJQNKODIDD-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester (CAS 76568-99-5), with molecular formula C16H17Cl2O3P and molecular weight 358.03 g/mol. IUPAC: 1-[1,1-dichloroethyl-(4-methylphenoxy)phosphoryl]oxy-4-methylbenzene.
Chemical Property Profile of Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester
Property Insights of Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester
The XLogP value of 5.5 indicates that Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester 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 Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester?
The CAS number of Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester is 76568-99-5.
What is the molecular formula of Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester?
The molecular formula of Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester is C16H17Cl2O3P.
What is the molecular weight of Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester?
The molecular weight of Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester is 358.03 g/mol.
Where can I buy Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester?
You can request a quote for Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (1,1-dichloroethyl)-, bis(4-methylphenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.