Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)-
TL;DR: Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)- (CAS 39901-44-5) is a chemical compound with molecular formula C13H14O6 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-oxo-4-(2,3,4-trimethoxyphenyl)but-2-enoic acid
Also Known As: (E)-3-(2,3,4-Trimethoxybenzoyl)acrylic acid, Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)-, (E)-4-(2,3,4-Trimethoxyphenyl)-4-oxo-2-butenoic acid, 2-Butenoic acid, 4-oxo-4-(2,3,4-trimethoxyphenyl)-, (E)-4-(2,3,4-Trimethoxyphenyl)-4-oxo-2-butensaeure
| Molecular Formula | C13H14O6 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 1.5359 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.07904 |
| Heavy Atoms | 19 |
| Complexity | 518.10986 |
Chemical Identifiers
| CAS Number | 39901-44-5 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C(=O)/C=C/C(=O)O)OC)OC |
Product Overview
Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)- (CAS 39901-44-5), with molecular formula C13H14O6 and molecular weight 266.08 g/mol. IUPAC: (E)-4-oxo-4-(2,3,4-trimethoxyphenyl)but-2-enoic acid.
Chemical Property Profile of Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)-
Property Insights of Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)-
The XLogP value of 1.5359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)-. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)-. Following Lipinski's Rule of Five, Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)- has 1 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 Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)-?
The CAS number of Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)- is 39901-44-5.
What is the molecular formula of Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)-?
The molecular formula of Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)- is C13H14O6.
What is the molecular weight of Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)-?
The molecular weight of Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)- is 266.08 g/mol.
Where can I buy Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)-?
You can request a quote for Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Acrylic acid, 3-(2,3,4-trimethoxybenzoyl)-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.