二乙基(3-氯烯丙基)膦酸酯
TL;DR: 二乙基(3-氯烯丙基)膦酸酯 (CAS 16485-99-7) is a chemical compound with molecular formula C7H14ClO3P and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二乙基(3-氯烯丙基)膦酸酯
1-chloro-3-diethoxyphosphorylprop-1-ene
Also Known As: Diethyl (3-chloroallyl)phosphonate, 1-chloro-3-diethoxyphosphorylprop-1-ene, Diethyl (3-chloroprop-2-en-1-yl)phosphonate, Phosphonic acid,(3-chloro-2-propenyl)-, diethyl ester (9CI), EINECS 240-542-7
| Molecular Formula | C7H14ClO3P |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.03691 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 16485-99-7 |
|---|---|
| SMILES | CCOP(=O)(CC=CCl)OCC |
| InChIKey | XENNXUCIWBEUFL-UHFFFAOYSA-N |
Product Overview
二乙基(3-氯烯丙基)膦酸酯 (CAS 16485-99-7), with molecular formula C7H14ClO3P and molecular weight 212.04 g/mol. IUPAC: 1-chloro-3-diethoxyphosphorylprop-1-ene.
Chemical Property Profile of 二乙基(3-氯烯丙基)膦酸酯
Property Insights of 二乙基(3-氯烯丙基)膦酸酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二乙基(3-氯烯丙基)膦酸酯. With a topological polar surface area (TPSA) of 35.5 Ų, 二乙基(3-氯烯丙基)膦酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二乙基(3-氯烯丙基)膦酸酯 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 二乙基(3-氯烯丙基)膦酸酯?
The CAS number of 二乙基(3-氯烯丙基)膦酸酯 is 16485-99-7.
What is the molecular formula of 二乙基(3-氯烯丙基)膦酸酯?
The molecular formula of 二乙基(3-氯烯丙基)膦酸酯 is C7H14ClO3P.
What is the molecular weight of 二乙基(3-氯烯丙基)膦酸酯?
The molecular weight of 二乙基(3-氯烯丙基)膦酸酯 is 212.04 g/mol.
Where can I buy 二乙基(3-氯烯丙基)膦酸酯?
You can request a quote for 二乙基(3-氯烯丙基)膦酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二乙基(3-氯烯丙基)膦酸酯?
Yes, KEHONG BIO provides custom synthesis services for 二乙基(3-氯烯丙基)膦酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.