Butyl bis(chloromethyl)phosphinate
TL;DR: Butyl bis(chloromethyl)phosphinate (CAS 14590-60-4) 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-[bis(chloromethyl)phosphoryloxy]butane
Also Known As: BUTYL BIS(CHLOROMETHYL)PHOSPHINATE, Butyl-bis-chlormethyl-phosphinat, 1-[bis(chloromethyl)phosphoryloxy]butane, Bis(chloromethyl)phosphinic acid butyl ester, J1.564.803A
| Molecular Formula | C6H13Cl2O2P |
|---|---|
| Molecular Weight | 218.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 218.00302 |
| Heavy Atoms | 11 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 14590-60-4 |
|---|---|
| SMILES | CCCCOP(=O)(CCl)CCl |
| InChIKey | QYOFYMCTQDYBMY-UHFFFAOYSA-N |
Product Overview
Butyl bis(chloromethyl)phosphinate (CAS 14590-60-4), with molecular formula C6H13Cl2O2P and molecular weight 218.00 g/mol. IUPAC: 1-[bis(chloromethyl)phosphoryloxy]butane.
Chemical Property Profile of Butyl bis(chloromethyl)phosphinate
Property Insights of Butyl bis(chloromethyl)phosphinate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl bis(chloromethyl)phosphinate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl bis(chloromethyl)phosphinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl bis(chloromethyl)phosphinate 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 Butyl bis(chloromethyl)phosphinate?
The CAS number of Butyl bis(chloromethyl)phosphinate is 14590-60-4.
What is the molecular formula of Butyl bis(chloromethyl)phosphinate?
The molecular formula of Butyl bis(chloromethyl)phosphinate is C6H13Cl2O2P.
What is the molecular weight of Butyl bis(chloromethyl)phosphinate?
The molecular weight of Butyl bis(chloromethyl)phosphinate is 218.00 g/mol.
Where can I buy Butyl bis(chloromethyl)phosphinate?
You can request a quote for Butyl bis(chloromethyl)phosphinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl bis(chloromethyl)phosphinate?
Yes, KEHONG BIO provides custom synthesis services for Butyl bis(chloromethyl)phosphinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.