Benzyl angelate
TL;DR: Benzyl angelate (CAS 37526-87-7) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (Z)-2-methylbut-2-enoate
Also Known As: benzyl angelate, Benzyl tiglate, p-Nonylaniline, angelic acid benzyl ester, Benzyl 2-methyl-2-butenoate
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.696 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 325.43478 |
Chemical Identifiers
| CAS Number | 37526-87-7 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)OCC1=CC=CC=C1 |
Product Overview
Benzyl angelate (CAS 37526-87-7), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: benzyl (Z)-2-methylbut-2-enoate.
Chemical Property Profile of Benzyl angelate
Property Insights of Benzyl angelate
The XLogP value of 2.696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl angelate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl angelate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl angelate has 0 hydrogen bond donor(s) and 2 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 Benzyl angelate?
The CAS number of Benzyl angelate is 37526-87-7.
What is the molecular formula of Benzyl angelate?
The molecular formula of Benzyl angelate is C12H14O2.
What is the molecular weight of Benzyl angelate?
The molecular weight of Benzyl angelate is 190.10 g/mol.
Where can I buy Benzyl angelate?
You can request a quote for Benzyl angelate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl angelate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl angelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.