氰双苯丙烯酸辛酯
TL;DR: 氰双苯丙烯酸辛酯 (CAS 6197-30-4) is a chemical compound with molecular formula C24H27NO2 and molecular weight 361.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氰双苯丙烯酸辛酯
2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate
Also Known As: Octocrylene, Octocrilene, 2-Ethylhexyl 2-cyano-3,3-diphenylacrylate, Octocrileno, Octocrilenum
| Molecular Formula | C24H27NO2 |
|---|---|
| Molecular Weight | 361.20 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 361.2042 |
| Heavy Atoms | 27 |
| Complexity | 510.0 |
| Solubility | Insoluble (NTP, 1992) |
Chemical Identifiers
| CAS Number | 6197-30-4 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N |
| InChIKey | FMJSMJQBSVNSBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氰双苯丙烯酸辛酯 (CAS 6197-30-4), with molecular formula C24H27NO2 and molecular weight 361.20 g/mol. IUPAC: 2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate.
Chemical Property Profile of 氰双苯丙烯酸辛酯
Property Insights of 氰双苯丙烯酸辛酯
The XLogP value of 7.1 indicates that 氰双苯丙烯酸辛酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 氰双苯丙烯酸辛酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氰双苯丙烯酸辛酯 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 氰双苯丙烯酸辛酯?
The CAS number of 氰双苯丙烯酸辛酯 is 6197-30-4.
What is the molecular formula of 氰双苯丙烯酸辛酯?
The molecular formula of 氰双苯丙烯酸辛酯 is C24H27NO2.
What is the molecular weight of 氰双苯丙烯酸辛酯?
The molecular weight of 氰双苯丙烯酸辛酯 is 361.20 g/mol.
Where can I buy 氰双苯丙烯酸辛酯?
You can request a quote for 氰双苯丙烯酸辛酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氰双苯丙烯酸辛酯?
Yes, KEHONG BIO provides custom synthesis services for 氰双苯丙烯酸辛酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.