1-Cyanoethane-1,2-diyl dibenzoate
TL;DR: 1-Cyanoethane-1,2-diyl dibenzoate (CAS 84348-15-2) is a chemical compound with molecular formula C17H13NO4 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzoyloxy-2-cyanoethyl) benzoate
Also Known As: 1-Cyanoethane-1,2-diyl dibenzoate, (2-benzoyloxy-2-cyanoethyl) benzoate, 2,3-Di-O-benzoyl-d,l-glycerononitrile, 2-(Benzoyloxy)-1-cyanoethyl benzoate #, PROPANENITRILE,2,3-BIS(BENZOYLOXY)-
| Molecular Formula | C17H13NO4 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.08447 |
| Heavy Atoms | 22 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 84348-15-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(C#N)OC(=O)C2=CC=CC=C2 |
| InChIKey | LKIMWUXHYSHMQF-UHFFFAOYSA-N |
Product Overview
1-Cyanoethane-1,2-diyl dibenzoate (CAS 84348-15-2), with molecular formula C17H13NO4 and molecular weight 295.08 g/mol. IUPAC: (2-benzoyloxy-2-cyanoethyl) benzoate.
Chemical Property Profile of 1-Cyanoethane-1,2-diyl dibenzoate
Property Insights of 1-Cyanoethane-1,2-diyl dibenzoate
The XLogP value of 3.1 indicates that 1-Cyanoethane-1,2-diyl dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cyanoethane-1,2-diyl dibenzoate. Following Lipinski's Rule of Five, 1-Cyanoethane-1,2-diyl dibenzoate 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 1-Cyanoethane-1,2-diyl dibenzoate?
The CAS number of 1-Cyanoethane-1,2-diyl dibenzoate is 84348-15-2.
What is the molecular formula of 1-Cyanoethane-1,2-diyl dibenzoate?
The molecular formula of 1-Cyanoethane-1,2-diyl dibenzoate is C17H13NO4.
What is the molecular weight of 1-Cyanoethane-1,2-diyl dibenzoate?
The molecular weight of 1-Cyanoethane-1,2-diyl dibenzoate is 295.08 g/mol.
Where can I buy 1-Cyanoethane-1,2-diyl dibenzoate?
You can request a quote for 1-Cyanoethane-1,2-diyl dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyanoethane-1,2-diyl dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyanoethane-1,2-diyl dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.