Phosphorodichloridic acid, isohexyl ester
TL;DR: Phosphorodichloridic acid, isohexyl ester (CAS 959222-46-9) is a chemical compound with molecular formula C6H13Cl2O2P and molecular weight 218.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dichlorophosphoryloxy-4-methylpentane
Also Known As: 4-Methylpentyl Phosphorodichloridate, Phosphorodichloridic acid, isohexyl ester, 1-dichlorophosphoryloxy-4-methylpentane
| Molecular Formula | C6H13Cl2O2P |
|---|---|
| Molecular Weight | 218.00 g/mol |
| LogP | 4.0249 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.00302 |
| Heavy Atoms | 11 |
| Complexity | 143.51772 |
Chemical Identifiers
| CAS Number | 959222-46-9 |
|---|---|
| SMILES | CC(C)CCCOP(=O)(Cl)Cl |
Product Overview
Phosphorodichloridic acid, isohexyl ester (CAS 959222-46-9), with molecular formula C6H13Cl2O2P and molecular weight 218.00 g/mol. IUPAC: 1-dichlorophosphoryloxy-4-methylpentane.
Chemical Property Profile of Phosphorodichloridic acid, isohexyl ester
Property Insights of Phosphorodichloridic acid, isohexyl ester
The XLogP value of 4.0249 indicates that Phosphorodichloridic acid, isohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phosphorodichloridic acid, isohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorodichloridic acid, isohexyl ester has 0 hydrogen bond donor(s) and 2 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 Phosphorodichloridic acid, isohexyl ester?
The CAS number of Phosphorodichloridic acid, isohexyl ester is 959222-46-9.
What is the molecular formula of Phosphorodichloridic acid, isohexyl ester?
The molecular formula of Phosphorodichloridic acid, isohexyl ester is C6H13Cl2O2P.
What is the molecular weight of Phosphorodichloridic acid, isohexyl ester?
The molecular weight of Phosphorodichloridic acid, isohexyl ester is 218.00 g/mol.
Where can I buy Phosphorodichloridic acid, isohexyl ester?
You can request a quote for Phosphorodichloridic acid, isohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodichloridic acid, isohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodichloridic acid, isohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.