Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester
TL;DR: Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester (CAS 55044-39-8) is a chemical compound with molecular formula C14H16O6 and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3,4-diacetyloxyphenyl)propanoate
Also Known As: Methyl 3-[3,4-bis(acetyloxy)phenyl]propanoate, methyl 3-(3,4-diacetyloxyphenyl)propanoate, 3,4-Bis(acetyloxy)benzenepropanoic acid methyl ester, Methyl 3-[3,4-bis(acetyloxy)phenyl]propanoate #, Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester
| Molecular Formula | C14H16O6 |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 280.0947 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 55044-39-8 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)CCC(=O)OC)OC(=O)C |
| InChIKey | ZOMMMACGAZZTAO-UHFFFAOYSA-N |
Product Overview
Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester (CAS 55044-39-8), with molecular formula C14H16O6 and molecular weight 280.09 g/mol. IUPAC: methyl 3-(3,4-diacetyloxyphenyl)propanoate.
Chemical Property Profile of Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester
Property Insights of Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester. Following Lipinski's Rule of Five, Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester has 0 hydrogen bond donor(s) and 6 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 Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester?
The CAS number of Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester is 55044-39-8.
What is the molecular formula of Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester?
The molecular formula of Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester is C14H16O6.
What is the molecular weight of Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester?
The molecular weight of Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester is 280.09 g/mol.
Where can I buy Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester?
You can request a quote for Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 3,4-bis(acetyloxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.