1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester
TL;DR: 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester (CAS 68083-99-8) is a chemical compound with molecular formula C15H20O5 and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl 3-(2-benzyl-1,3-dioxolan-2-yl)propanoate
Also Known As: Hydroxyethyl 4-ethylenedioxy-5-phenylvalerate, Hydroxyethyl-4-ethylenedioxy-5-phenylvalerate, 2-Hydroxyethyl 2-benzyl-1,3-dioxolane-2-propionate, 2-hydroxyethyl 3-(2-benzyl-1,3-dioxolan-2-yl)propanoate, 2-hydroxyethyl2-benzyl-1,3-dioxolane-2-propionate
| Molecular Formula | C15H20O5 |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 280.13107 |
| Heavy Atoms | 20 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 68083-99-8 |
|---|---|
| SMILES | C1COC(O1)(CCC(=O)OCCO)CC2=CC=CC=C2 |
| InChIKey | ISFIHGMRNGUEGX-UHFFFAOYSA-N |
Product Overview
1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester (CAS 68083-99-8), with molecular formula C15H20O5 and molecular weight 280.13 g/mol. IUPAC: 2-hydroxyethyl 3-(2-benzyl-1,3-dioxolan-2-yl)propanoate.
Chemical Property Profile of 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester
Property Insights of 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester. Following Lipinski's Rule of Five, 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester 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 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester?
The CAS number of 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester is 68083-99-8.
What is the molecular formula of 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester?
The molecular formula of 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester is C15H20O5.
What is the molecular weight of 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester?
The molecular weight of 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester is 280.13 g/mol.
Where can I buy 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester?
You can request a quote for 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, 2-hydroxyethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.