Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester
TL;DR: Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester (CAS 137888-35-8) is a chemical compound with molecular formula C9H18Cl3O4P and molecular weight 326.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloropropan-2-yl bis(3-chloropropyl) phosphate
Also Known As: 1-chloropropan-2-yl bis(3-chloropropyl) phosphate, MSK176200-100B, Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester (9CI), Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester, Bis(3-chloro-1-propyl)(1-chloro-2-propyl)phosphate
| Molecular Formula | C9H18Cl3O4P |
|---|---|
| Molecular Weight | 326.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 326.00082 |
| Heavy Atoms | 17 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 137888-35-8 |
|---|---|
| SMILES | CC(CCl)OP(=O)(OCCCCl)OCCCCl |
| InChIKey | LURCDQJWIBOOGP-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester (CAS 137888-35-8), with molecular formula C9H18Cl3O4P and molecular weight 326.00 g/mol. IUPAC: 1-chloropropan-2-yl bis(3-chloropropyl) phosphate.
Chemical Property Profile of Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester
Property Insights of Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester. With a topological polar surface area (TPSA) of 44.8 Ų, Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) 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, 2-chloro-1-methylethyl bis(3-chloropropyl) ester?
The CAS number of Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester is 137888-35-8.
What is the molecular formula of Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester?
The molecular formula of Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester is C9H18Cl3O4P.
What is the molecular weight of Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester?
The molecular weight of Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester is 326.00 g/mol.
Where can I buy Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester?
You can request a quote for Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) 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, 2-chloro-1-methylethyl bis(3-chloropropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, 2-chloro-1-methylethyl bis(3-chloropropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.