NCI60_002594
TL;DR: NCI60_002594 (CAS 36167-65-4) is a chemical compound with molecular formula C30H34F6N2O and molecular weight 552.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(dibutylamino)propan-1-ol
Also Known As: NCI60_002594, alpha-(2-(Dibutylamino)ethyl)-2,6-bis(4-(trifluoromethyl)phenyl)-4-pyridinemethanol, 1-[2,6-bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]-3-(dibutylamino)propan-1-ol, 2,6-Bis(4-(trifluoromethyl)phenyl)-4-(3-(dibutylamino)-1-hydroxypropyl)pyridine, 4-Pyridinemethanol, alpha-(2-(dibutylamino)ethyl)-2,6-bis(4-(trifluoromethyl)phenyl)-
| Molecular Formula | C30H34F6N2O |
|---|---|
| Molecular Weight | 552.26 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 36.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 552.2575 |
| Heavy Atoms | 39 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 36167-65-4 |
|---|---|
| SMILES | CCCCN(CCCC)CCC(C1=CC(=NC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)O |
| InChIKey | UUYJAPDCVNIBPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NCI60_002594 (CAS 36167-65-4), with molecular formula C30H34F6N2O and molecular weight 552.26 g/mol. IUPAC: 1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-3-(dibutylamino)propan-1-ol.
Chemical Property Profile of NCI60_002594
Property Insights of NCI60_002594
The XLogP value of 8.0 indicates that NCI60_002594 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.4 Ų, NCI60_002594 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_002594 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_002594?
The CAS number of NCI60_002594 is 36167-65-4.
What is the molecular formula of NCI60_002594?
The molecular formula of NCI60_002594 is C30H34F6N2O.
What is the molecular weight of NCI60_002594?
The molecular weight of NCI60_002594 is 552.26 g/mol.
Where can I buy NCI60_002594?
You can request a quote for NCI60_002594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_002594?
Yes, KEHONG BIO provides custom synthesis services for NCI60_002594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.