Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester
TL;DR: Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester (CAS 67412-53-7) is a chemical compound with molecular formula C11H20Cl5O4P and molecular weight 421.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2,2-dimethylpropyl) bis(3,3-dichloropropyl) phosphate
Also Known As: Preproparathormone, 3-Chloro-2,2-dimethylpropyl bis(dichloropropyl) phosphate, Bis(dichloropropyl)-2,2-dimethyl-3-chloropropyl phosphate, 3-chloro-2,2-dimethylpropyl bis(3,3-dichloropropyl) phosphate, Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester
| Molecular Formula | C11H20Cl5O4P |
|---|---|
| Molecular Weight | 421.95 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 423.95123 |
| Heavy Atoms | 21 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 67412-53-7 |
|---|---|
| SMILES | CC(C)(COP(=O)(OCCC(Cl)Cl)OCCC(Cl)Cl)CCl |
| InChIKey | PVFRRNSHBYXYSN-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester (CAS 67412-53-7), with molecular formula C11H20Cl5O4P and molecular weight 421.95 g/mol. IUPAC: (3-chloro-2,2-dimethylpropyl) bis(3,3-dichloropropyl) phosphate.
Chemical Property Profile of Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester
Property Insights of Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester
The XLogP value of 4.7 indicates that Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester 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 Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester?
The CAS number of Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester is 67412-53-7.
What is the molecular formula of Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester?
The molecular formula of Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester is C11H20Cl5O4P.
What is the molecular weight of Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester?
The molecular weight of Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester is 421.95 g/mol.
Where can I buy Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester?
You can request a quote for Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, 3-chloro-2,2-dimethylpropyl bis(dichloropropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.