4-(Diethoxy-phosphoryl)-but-2-enoic acid methyl ester
TL;DR: 4-(Diethoxy-phosphoryl)-but-2-enoic acid methyl ester (CAS 24676-98-0) is a chemical compound with molecular formula C9H17O5P and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-diethoxyphosphorylbut-2-enoate
Also Known As: Methyl 4-diethoxyphosphorylbut-2-enoate, 4-(diethoxy-phosphoryl)-but-2-enoic acid methyl ester, diethyl-3-ethoxycarbonylallylphosphonate, Methyl (2E)-4-(diethoxyphosphinyl)-2-butenoate, METHYL 4-(DIETHOXYPHOSPHORYL)BUT-2-ENOATE
| Molecular Formula | C9H17O5P |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 1.9817 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.08136 |
| Heavy Atoms | 15 |
| Complexity | 251.22832 |
Chemical Identifiers
| CAS Number | 24676-98-0 |
|---|---|
| SMILES | CCOP(=O)(CC=CC(=O)OC)OCC |
Product Overview
4-(Diethoxy-phosphoryl)-but-2-enoic acid methyl ester (CAS 24676-98-0), with molecular formula C9H17O5P and molecular weight 236.08 g/mol. IUPAC: methyl 4-diethoxyphosphorylbut-2-enoate.
Chemical Property Profile of 4-(Diethoxy-phosphoryl)-but-2-enoic acid methyl ester
Property Insights of 4-(Diethoxy-phosphoryl)-but-2-enoic acid methyl ester
The XLogP value of 1.9817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Diethoxy-phosphoryl)-but-2-enoic acid methyl ester. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Diethoxy-phosphoryl)-but-2-enoic acid methyl ester. Following Lipinski's Rule of Five, 4-(Diethoxy-phosphoryl)-but-2-enoic acid methyl ester has 0 hydrogen bond donor(s) and 5 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 4-(Diethoxy-phosphoryl)-but-2-enoic acid methyl ester?
The CAS number of 4-(Diethoxy-phosphoryl)-but-2-enoic acid methyl ester is 24676-98-0.
What is the molecular formula of 4-(Diethoxy-phosphoryl)-but-2-enoic acid methyl ester?
The molecular formula of 4-(Diethoxy-phosphoryl)-but-2-enoic acid methyl ester is C9H17O5P.
What is the molecular weight of 4-(Diethoxy-phosphoryl)-but-2-enoic acid methyl ester?
The molecular weight of 4-(Diethoxy-phosphoryl)-but-2-enoic acid methyl ester is 236.08 g/mol.
Where can I buy 4-(Diethoxy-phosphoryl)-but-2-enoic acid methyl ester?
You can request a quote for 4-(Diethoxy-phosphoryl)-but-2-enoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Diethoxy-phosphoryl)-but-2-enoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diethoxy-phosphoryl)-but-2-enoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.