Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester
TL;DR: Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester (CAS 67032-34-2) is a chemical compound with molecular formula C13H18O5 and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-(2,3-dihydroxypropoxy)benzoate
Also Known As: p- benzoicacidpropylester, Propyl p-(2,3-dihydroxypropoxy)benzoate, propyl 4-(2,3-dihydroxypropoxy)benzoate, BENZOIC ACID, p-(2,3-DIHYDROXYPROPOXY)-, PROPYL ESTER, p-(2,3-Dihydroxypropoxy)benzoic acid propyl ester
| Molecular Formula | C13H18O5 |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 254.11542 |
| Heavy Atoms | 18 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 67032-34-2 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)OCC(CO)O |
| InChIKey | OWACFNPRIAKXDB-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester (CAS 67032-34-2), with molecular formula C13H18O5 and molecular weight 254.12 g/mol. IUPAC: propyl 4-(2,3-dihydroxypropoxy)benzoate.
Chemical Property Profile of Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester
Property Insights of Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester. Following Lipinski's Rule of Five, Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester has 2 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 Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester?
The CAS number of Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester is 67032-34-2.
What is the molecular formula of Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester?
The molecular formula of Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester is C13H18O5.
What is the molecular weight of Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester?
The molecular weight of Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester is 254.12 g/mol.
Where can I buy Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester?
You can request a quote for Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.