EINECS 279-404-6
TL;DR: EINECS 279-404-6 (CAS 80139-87-3) is a chemical compound with molecular formula C33H35FN2O2 and molecular weight 510.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylate
Also Known As: EINECS 279-404-6, benzyl 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylate, Benzyl 1-(4-cyano-4-(4-fluorophenyl)cyclohexyl)-3-methyl-4-phenylpiperidine-4-carboxylate, 1-[4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid phenylmethyl ester, 4-Piperidinecarboxylicacid, 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-, phenylmethylester
| Molecular Formula | C33H35FN2O2 |
|---|---|
| Molecular Weight | 510.27 g/mol |
| LogP | 6.55288 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.26825 |
| Heavy Atoms | 38 |
| Complexity | 1263.8566 |
Chemical Identifiers
| CAS Number | 80139-87-3 |
|---|---|
| SMILES | CC1CN(CCC1(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4CCC(CC4)(C#N)C5=CC=C(C=C5)F |
Product Overview
EINECS 279-404-6 (CAS 80139-87-3), with molecular formula C33H35FN2O2 and molecular weight 510.27 g/mol. IUPAC: benzyl 1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylate.
Chemical Property Profile of EINECS 279-404-6
Property Insights of EINECS 279-404-6
The XLogP value of 6.55288 indicates that EINECS 279-404-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.33 Ų, EINECS 279-404-6 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 279-404-6 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 279-404-6?
The CAS number of EINECS 279-404-6 is 80139-87-3.
What is the molecular formula of EINECS 279-404-6?
The molecular formula of EINECS 279-404-6 is C33H35FN2O2.
What is the molecular weight of EINECS 279-404-6?
The molecular weight of EINECS 279-404-6 is 510.27 g/mol.
Where can I buy EINECS 279-404-6?
You can request a quote for EINECS 279-404-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 279-404-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 279-404-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.