![Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]- structure](/static/products/5194/51944-00-4.webp)
Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]-
TL;DR: Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]- (CAS 51944-00-4) is a chemical compound with molecular formula C15H18O8 and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,5-bis(ethoxycarbonyloxy)phenyl]propanoic acid
Also Known As: Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]-, 3-{2,5-bis[(ethoxycarbonyl)oxy]phenyl}propanoic acid, Benzenepropanoic acid, 2,5-bis((ethoxycarbonyl)oxy)-, 3-[2,5-bis(ethoxycarbonyloxy)phenyl]propanoic acid, 2,5-Bis[(ethoxycarbonyl)oxy]benzenepropanoic acid
| Molecular Formula | C15H18O8 |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 326.10016 |
| Heavy Atoms | 23 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 51944-00-4 |
|---|---|
| SMILES | CCOC(=O)OC1=CC(=C(C=C1)OC(=O)OCC)CCC(=O)O |
| InChIKey | DNPIFPRBZKVKGE-UHFFFAOYSA-N |
Product Overview
Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]- (CAS 51944-00-4), with molecular formula C15H18O8 and molecular weight 326.10 g/mol. IUPAC: 3-[2,5-bis(ethoxycarbonyloxy)phenyl]propanoic acid.
Chemical Property Profile of Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]-
Property Insights of Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]-. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]-. Following Lipinski's Rule of Five, Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]- has 1 hydrogen bond donor(s) and 8 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, 2,5-bis[(ethoxycarbonyl)oxy]-?
The CAS number of Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]- is 51944-00-4.
What is the molecular formula of Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]-?
The molecular formula of Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]- is C15H18O8.
What is the molecular weight of Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]-?
The molecular weight of Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]- is 326.10 g/mol.
Where can I buy Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]-?
You can request a quote for Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 2,5-bis[(ethoxycarbonyl)oxy]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.