1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester
TL;DR: 1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester (CAS 63133-89-1) is a chemical compound with molecular formula C16H22O6 and molecular weight 310.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[4-(3-ethoxy-1-hydroxy-3-oxopropyl)phenyl]-3-hydroxypropanoate
Also Known As: Diethyl beta,beta'-dihydroxybenzene-1,4-dipropionate, 1,4-benzenedipropanoic acid,, A'-dihydroxy-, diethyl ester, 1,4-Benzenedipropanoic acid, beta,beta'-dihydroxy-, diethyl ester, 1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester
| Molecular Formula | C16H22O6 |
|---|---|
| Molecular Weight | 310.14 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 310.14163 |
| Heavy Atoms | 22 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 63133-89-1 |
|---|---|
| SMILES | CCOC(=O)CC(C1=CC=C(C=C1)C(CC(=O)OCC)O)O |
| InChIKey | YQKIPPOWPUMQJF-UHFFFAOYSA-N |
Product Overview
1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester (CAS 63133-89-1), with molecular formula C16H22O6 and molecular weight 310.14 g/mol. IUPAC: ethyl 3-[4-(3-ethoxy-1-hydroxy-3-oxopropyl)phenyl]-3-hydroxypropanoate.
Chemical Property Profile of 1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester
Property Insights of 1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester. Following Lipinski's Rule of Five, 1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester has 2 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 1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester?
The CAS number of 1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester is 63133-89-1.
What is the molecular formula of 1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester?
The molecular formula of 1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester is C16H22O6.
What is the molecular weight of 1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester?
The molecular weight of 1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester is 310.14 g/mol.
Where can I buy 1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester?
You can request a quote for 1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.