Allyl 2,3-epoxypropyl phthalate
TL;DR: Allyl 2,3-epoxypropyl phthalate (CAS 3814-58-2) is a chemical compound with molecular formula C14H14O5 and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(oxiran-2-ylmethyl) 1-O-prop-2-enyl benzene-1,2-dicarboxylate
Also Known As: Allyl 2,3-epoxypropyl phthalate, allyl oxiran-2-ylmethyl phthalate, 2-O-(oxiran-2-ylmethyl) 1-O-prop-2-enyl benzene-1,2-dicarboxylate, (Oxiran-2-yl)methyl prop-2-en-1-yl benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid 1-oxiranylmethyl 2-(2-propenyl) ester
| Molecular Formula | C14H14O5 |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 262.08414 |
| Heavy Atoms | 19 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 3814-58-2 |
|---|---|
| SMILES | C=CCOC(=O)C1=CC=CC=C1C(=O)OCC2CO2 |
| InChIKey | OFILZJAFGRGHDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl 2,3-epoxypropyl phthalate (CAS 3814-58-2), with molecular formula C14H14O5 and molecular weight 262.08 g/mol. IUPAC: 2-O-(oxiran-2-ylmethyl) 1-O-prop-2-enyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Allyl 2,3-epoxypropyl phthalate
Property Insights of Allyl 2,3-epoxypropyl phthalate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl 2,3-epoxypropyl phthalate. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Allyl 2,3-epoxypropyl phthalate. Following Lipinski's Rule of Five, Allyl 2,3-epoxypropyl phthalate has 0 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 Allyl 2,3-epoxypropyl phthalate?
The CAS number of Allyl 2,3-epoxypropyl phthalate is 3814-58-2.
What is the molecular formula of Allyl 2,3-epoxypropyl phthalate?
The molecular formula of Allyl 2,3-epoxypropyl phthalate is C14H14O5.
What is the molecular weight of Allyl 2,3-epoxypropyl phthalate?
The molecular weight of Allyl 2,3-epoxypropyl phthalate is 262.08 g/mol.
Where can I buy Allyl 2,3-epoxypropyl phthalate?
You can request a quote for Allyl 2,3-epoxypropyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl 2,3-epoxypropyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Allyl 2,3-epoxypropyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.