3-Chloro-1-diethoxyphosphorylbut-2-ene
TL;DR: 3-Chloro-1-diethoxyphosphorylbut-2-ene (CAS 16486-00-3) is a chemical compound with molecular formula C8H16ClO3P and molecular weight 226.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-diethoxyphosphorylbut-2-ene
Also Known As: (3-chloro-2-propenyl)phosphonate, 3-chloro-1-diethoxyphosphorylbut-2-ene
| Molecular Formula | C8H16ClO3P |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 3.3951 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.05257 |
| Heavy Atoms | 13 |
| Complexity | 201.43468 |
Chemical Identifiers
| CAS Number | 16486-00-3 |
|---|---|
| SMILES | CCOP(=O)(CC=C(C)Cl)OCC |
Product Overview
3-Chloro-1-diethoxyphosphorylbut-2-ene (CAS 16486-00-3), with molecular formula C8H16ClO3P and molecular weight 226.05 g/mol. IUPAC: 3-chloro-1-diethoxyphosphorylbut-2-ene.
Chemical Property Profile of 3-Chloro-1-diethoxyphosphorylbut-2-ene
Property Insights of 3-Chloro-1-diethoxyphosphorylbut-2-ene
The XLogP value of 3.3951 indicates that 3-Chloro-1-diethoxyphosphorylbut-2-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 3-Chloro-1-diethoxyphosphorylbut-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1-diethoxyphosphorylbut-2-ene 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 3-Chloro-1-diethoxyphosphorylbut-2-ene?
The CAS number of 3-Chloro-1-diethoxyphosphorylbut-2-ene is 16486-00-3.
What is the molecular formula of 3-Chloro-1-diethoxyphosphorylbut-2-ene?
The molecular formula of 3-Chloro-1-diethoxyphosphorylbut-2-ene is C8H16ClO3P.
What is the molecular weight of 3-Chloro-1-diethoxyphosphorylbut-2-ene?
The molecular weight of 3-Chloro-1-diethoxyphosphorylbut-2-ene is 226.05 g/mol.
Where can I buy 3-Chloro-1-diethoxyphosphorylbut-2-ene?
You can request a quote for 3-Chloro-1-diethoxyphosphorylbut-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1-diethoxyphosphorylbut-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-diethoxyphosphorylbut-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.