2-Oxiranylmethyl 4-(2-oxiranylmethoxy)benzoate
TL;DR: 2-Oxiranylmethyl 4-(2-oxiranylmethoxy)benzoate (CAS 7042-93-5) is a chemical compound with molecular formula C13H14O5 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxiran-2-ylmethyl 4-(oxiran-2-ylmethoxy)benzoate
Also Known As: HADE, 4-Hydroxybenzoic acid diglycidyl ether, Oxiranylmethyl alpha-oxiranyl-p-anisate, oxiranylmethylalpha-oxiranyl-p-anisate, oxiran-2-ylmethyl 4-(oxiran-2-ylmethoxy)benzoate
| Molecular Formula | C13H14O5 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.08412 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 7042-93-5 |
|---|---|
| SMILES | C1C(O1)COC2=CC=C(C=C2)C(=O)OCC3CO3 |
| InChIKey | WTLNIWWRURSHGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Oxiranylmethyl 4-(2-oxiranylmethoxy)benzoate (CAS 7042-93-5), with molecular formula C13H14O5 and molecular weight 250.08 g/mol. IUPAC: oxiran-2-ylmethyl 4-(oxiran-2-ylmethoxy)benzoate.
Chemical Property Profile of 2-Oxiranylmethyl 4-(2-oxiranylmethoxy)benzoate
Property Insights of 2-Oxiranylmethyl 4-(2-oxiranylmethoxy)benzoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxiranylmethyl 4-(2-oxiranylmethoxy)benzoate. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxiranylmethyl 4-(2-oxiranylmethoxy)benzoate. Following Lipinski's Rule of Five, 2-Oxiranylmethyl 4-(2-oxiranylmethoxy)benzoate 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 2-Oxiranylmethyl 4-(2-oxiranylmethoxy)benzoate?
The CAS number of 2-Oxiranylmethyl 4-(2-oxiranylmethoxy)benzoate is 7042-93-5.
What is the molecular formula of 2-Oxiranylmethyl 4-(2-oxiranylmethoxy)benzoate?
The molecular formula of 2-Oxiranylmethyl 4-(2-oxiranylmethoxy)benzoate is C13H14O5.
What is the molecular weight of 2-Oxiranylmethyl 4-(2-oxiranylmethoxy)benzoate?
The molecular weight of 2-Oxiranylmethyl 4-(2-oxiranylmethoxy)benzoate is 250.08 g/mol.
Where can I buy 2-Oxiranylmethyl 4-(2-oxiranylmethoxy)benzoate?
You can request a quote for 2-Oxiranylmethyl 4-(2-oxiranylmethoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxiranylmethyl 4-(2-oxiranylmethoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxiranylmethyl 4-(2-oxiranylmethoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.