Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate
TL;DR: Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate (CAS 68460-03-7) is a chemical compound with molecular formula C9H15Cl6O4P and molecular weight 427.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1,3-dichloropropan-2-yl) 2,3-dichloropropyl phosphate
Also Known As: Bis(1,3-dichloro-2-propyl)-2,3-dichloro-1-propyl phosphate, Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate, Bis[2-chloro-1-(chloromethyl)ethyl] 2,3-dichloropropyl phosphate, bis(1,3-dichloropropan-2-yl) 2,3-dichloropropyl phosphate, Bis(1,3dichloro2propyl)2,3dichloro1propyl phosphate
| Molecular Formula | C9H15Cl6O4P |
|---|---|
| Molecular Weight | 427.88 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 429.88095 |
| Heavy Atoms | 20 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 68460-03-7 |
|---|---|
| SMILES | C(C(CCl)Cl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl |
| InChIKey | PLUXGFREPRMQHY-UHFFFAOYSA-N |
Product Overview
Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate (CAS 68460-03-7), with molecular formula C9H15Cl6O4P and molecular weight 427.88 g/mol. IUPAC: bis(1,3-dichloropropan-2-yl) 2,3-dichloropropyl phosphate.
Chemical Property Profile of Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate
Property Insights of Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate
The XLogP value of 3.3 indicates that Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate 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 Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate?
The CAS number of Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate is 68460-03-7.
What is the molecular formula of Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate?
The molecular formula of Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate is C9H15Cl6O4P.
What is the molecular weight of Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate?
The molecular weight of Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate is 427.88 g/mol.
Where can I buy Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate?
You can request a quote for Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-chloro-1-(chloromethyl)ethyl) 2,3-dichloropropyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.