1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl ester
TL;DR: 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl ester (CAS 68084-00-4) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-benzyl-1,3-dioxolan-2-yl)propanoate
Also Known As: Methyl 4-ethylenedioxy-5-phenylvalerate, Methyl 2-benzyl-1,3-dioxolane-2-propionate, Methyl-4-ethylenedioxy-5-phenylvalerate, methyl 3-(2-benzyl-1,3-dioxolan-2-yl)propanoate, 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl ester
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 68084-00-4 |
|---|---|
| SMILES | COC(=O)CCC1(OCCO1)CC2=CC=CC=C2 |
| InChIKey | BQGGHVZNRMUBRQ-UHFFFAOYSA-N |
Product Overview
1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl ester (CAS 68084-00-4), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: methyl 3-(2-benzyl-1,3-dioxolan-2-yl)propanoate.
Chemical Property Profile of 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl ester
Property Insights of 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl ester has 0 hydrogen bond donor(s) and 4 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)-, methyl ester?
The CAS number of 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl ester is 68084-00-4.
What is the molecular formula of 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl ester?
The molecular formula of 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl ester is C14H18O4.
What is the molecular weight of 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl ester?
The molecular weight of 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl ester is 250.12 g/mol.
Where can I buy 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl ester?
You can request a quote for 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl 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)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolane-2-propanoic acid, 2-(phenylmethyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.