2-Butenoic acid, 4-(dimethoxyphosphinyl)-, methyl ester
TL;DR: 2-Butenoic acid, 4-(dimethoxyphosphinyl)-, methyl ester (CAS 76566-95-5) is a chemical compound with molecular formula C7H13O5P and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-dimethoxyphosphorylbut-2-enoate
Also Known As: trimethyl phosphonocrotonate, methyl 4-(dimethoxyphosphoryl)but-2-enoate, methyl 4-dimethoxyphosphorylbut-2-enoate, 2-Butenoic acid, 4-(dimethoxyphosphinyl)-, methyl ester, methyl (E)-4-dimethoxyphosphorylbut-2-enoate
| Molecular Formula | C7H13O5P |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 1.2015 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.05006 |
| Heavy Atoms | 13 |
| Complexity | 227.0374 |
Chemical Identifiers
| CAS Number | 76566-95-5 |
|---|---|
| SMILES | COC(=O)C=CCP(=O)(OC)OC |
Product Overview
2-Butenoic acid, 4-(dimethoxyphosphinyl)-, methyl ester (CAS 76566-95-5), with molecular formula C7H13O5P and molecular weight 208.05 g/mol. IUPAC: methyl 4-dimethoxyphosphorylbut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 4-(dimethoxyphosphinyl)-, methyl ester
Property Insights of 2-Butenoic acid, 4-(dimethoxyphosphinyl)-, methyl ester
The XLogP value of 1.2015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 4-(dimethoxyphosphinyl)-, methyl ester. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenoic acid, 4-(dimethoxyphosphinyl)-, methyl ester. Following Lipinski's Rule of Five, 2-Butenoic acid, 4-(dimethoxyphosphinyl)-, 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 2-Butenoic acid, 4-(dimethoxyphosphinyl)-, methyl ester?
The CAS number of 2-Butenoic acid, 4-(dimethoxyphosphinyl)-, methyl ester is 76566-95-5.
What is the molecular formula of 2-Butenoic acid, 4-(dimethoxyphosphinyl)-, methyl ester?
The molecular formula of 2-Butenoic acid, 4-(dimethoxyphosphinyl)-, methyl ester is C7H13O5P.
What is the molecular weight of 2-Butenoic acid, 4-(dimethoxyphosphinyl)-, methyl ester?
The molecular weight of 2-Butenoic acid, 4-(dimethoxyphosphinyl)-, methyl ester is 208.05 g/mol.
Where can I buy 2-Butenoic acid, 4-(dimethoxyphosphinyl)-, methyl ester?
You can request a quote for 2-Butenoic acid, 4-(dimethoxyphosphinyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 4-(dimethoxyphosphinyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 4-(dimethoxyphosphinyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.