CTK5E2667
TL;DR: CTK5E2667 (CAS 76260-42-9) is a chemical compound with molecular formula C29H34O2 and molecular weight 414.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-methylbutyl)phenyl] 4-[4-(2-methylbutyl)phenyl]benzoate
Also Known As: 4- phenyl4'- [1,1'-biphenyl]-4-carboxylate, [1,1'-Biphenyl]-4-carboxylic acid, 4'-(2-methylbutyl)-, 4-(2-methylbutyl)phenyl ester, [S-(R*,R*)]-4-(2-Methylbutyl)phenyl 4-(2-methylbutyl)[1,1'-biphenyl]-4-carboxylate, [4-(2-methylbutyl)phenyl] 4-[4-(2-methylbutyl)phenyl]benzoate, 4-(2-METHYLBUTYL)PHENYL 4'-(2-METHYLBUTYL)[1,1'-BIPHENYL]-4-CARBOXYLATE
| Molecular Formula | C29H34O2 |
|---|---|
| Molecular Weight | 414.26 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 414.2559 |
| Heavy Atoms | 31 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 76260-42-9 |
|---|---|
| SMILES | CCC(C)CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CC(C)CC |
| InChIKey | RHUXKIANICSJAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK5E2667 (CAS 76260-42-9), with molecular formula C29H34O2 and molecular weight 414.26 g/mol. IUPAC: [4-(2-methylbutyl)phenyl] 4-[4-(2-methylbutyl)phenyl]benzoate.
Chemical Property Profile of CTK5E2667
Property Insights of CTK5E2667
The XLogP value of 9.2 indicates that CTK5E2667 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, CTK5E2667 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK5E2667 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK5E2667?
The CAS number of CTK5E2667 is 76260-42-9.
What is the molecular formula of CTK5E2667?
The molecular formula of CTK5E2667 is C29H34O2.
What is the molecular weight of CTK5E2667?
The molecular weight of CTK5E2667 is 414.26 g/mol.
Where can I buy CTK5E2667?
You can request a quote for CTK5E2667 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5E2667?
Yes, KEHONG BIO provides custom synthesis services for CTK5E2667 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.