Bis(2-chloroethyl) 1-ethynylcyclohexylphosphonate
TL;DR: Bis(2-chloroethyl) 1-ethynylcyclohexylphosphonate (CAS 352637-58-2) is a chemical compound with molecular formula C12H19Cl2O3P and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bis(2-chloroethoxy)phosphoryl]-1-ethynylcyclohexane
Also Known As: bis(2-chloroethyl) 1-ethynylcyclohexylphosphonate, 1-[bis(2-chloroethoxy)phosphoryl]-1-ethynylcyclohexane
| Molecular Formula | C12H19Cl2O3P |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 4.0264 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.0449 |
| Heavy Atoms | 18 |
| Complexity | 322.70444 |
Chemical Identifiers
| CAS Number | 352637-58-2 |
|---|---|
| SMILES | C#CC1(CCCCC1)P(=O)(OCCCl)OCCCl |
Product Overview
Bis(2-chloroethyl) 1-ethynylcyclohexylphosphonate (CAS 352637-58-2), with molecular formula C12H19Cl2O3P and molecular weight 312.04 g/mol. IUPAC: 1-[bis(2-chloroethoxy)phosphoryl]-1-ethynylcyclohexane.
Chemical Property Profile of Bis(2-chloroethyl) 1-ethynylcyclohexylphosphonate
Property Insights of Bis(2-chloroethyl) 1-ethynylcyclohexylphosphonate
The XLogP value of 4.0264 indicates that Bis(2-chloroethyl) 1-ethynylcyclohexylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Bis(2-chloroethyl) 1-ethynylcyclohexylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-chloroethyl) 1-ethynylcyclohexylphosphonate has 0 hydrogen bond donor(s) and 3 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-chloroethyl) 1-ethynylcyclohexylphosphonate?
The CAS number of Bis(2-chloroethyl) 1-ethynylcyclohexylphosphonate is 352637-58-2.
What is the molecular formula of Bis(2-chloroethyl) 1-ethynylcyclohexylphosphonate?
The molecular formula of Bis(2-chloroethyl) 1-ethynylcyclohexylphosphonate is C12H19Cl2O3P.
What is the molecular weight of Bis(2-chloroethyl) 1-ethynylcyclohexylphosphonate?
The molecular weight of Bis(2-chloroethyl) 1-ethynylcyclohexylphosphonate is 312.04 g/mol.
Where can I buy Bis(2-chloroethyl) 1-ethynylcyclohexylphosphonate?
You can request a quote for Bis(2-chloroethyl) 1-ethynylcyclohexylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-chloroethyl) 1-ethynylcyclohexylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-chloroethyl) 1-ethynylcyclohexylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.