![3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester structure](/static/products/6401/64011-84-3.webp)
3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester
TL;DR: 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester (CAS 64011-84-3) is a chemical compound with molecular formula C13H17O7P and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 3-dimethoxyphosphoryloxybut-2-enoate
Also Known As: 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester
| Molecular Formula | C13H17O7P |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 316.0712 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 64011-84-3 |
|---|---|
| SMILES | CC(=CC(=O)OC1=CC=C(C=C1)OC)OP(=O)(OC)OC |
| InChIKey | DKJIFVIBSHBSFD-UHFFFAOYSA-N |
Product Overview
3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester (CAS 64011-84-3), with molecular formula C13H17O7P and molecular weight 316.07 g/mol. IUPAC: (4-methoxyphenyl) 3-dimethoxyphosphoryloxybut-2-enoate.
Chemical Property Profile of 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester
Property Insights of 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester. Following Lipinski's Rule of Five, 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester has 0 hydrogen bond donor(s) and 7 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-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester?
The CAS number of 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester is 64011-84-3.
What is the molecular formula of 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester?
The molecular formula of 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester is C13H17O7P.
What is the molecular weight of 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester?
The molecular weight of 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester is 316.07 g/mol.
Where can I buy 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester?
You can request a quote for 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.