BIM-0004418.P001
TL;DR: BIM-0004418.P001 (CAS 296247-27-3) is a chemical compound with molecular formula C26H20ClF3N2O and molecular weight 468.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BIM-0004418.P001, 3-(4-chlorophenyl)-11-[2-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, A2242/0094431, 14-(4-CHLOROPHENYL)-10-[2-(TRIFLUOROMETHYL)PHENYL]-2,9-DIAZATRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3,5,7-TETRAEN-12-ONE
| Molecular Formula | C26H20ClF3N2O |
|---|---|
| Molecular Weight | 468.12 g/mol |
| LogP | 7.3383 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 468.1216 |
| Heavy Atoms | 33 |
| Complexity | 1250.8918 |
Chemical Identifiers
| CAS Number | 296247-27-3 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC=CC=C4C(F)(F)F)C5=CC=C(C=C5)Cl |
Product Overview
BIM-0004418.P001 (CAS 296247-27-3), with molecular formula C26H20ClF3N2O and molecular weight 468.12 g/mol. IUPAC: 9-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BIM-0004418.P001
Property Insights of BIM-0004418.P001
The XLogP value of 7.3383 indicates that BIM-0004418.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, BIM-0004418.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0004418.P001 has 2 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 BIM-0004418.P001?
The CAS number of BIM-0004418.P001 is 296247-27-3.
What is the molecular formula of BIM-0004418.P001?
The molecular formula of BIM-0004418.P001 is C26H20ClF3N2O.
What is the molecular weight of BIM-0004418.P001?
The molecular weight of BIM-0004418.P001 is 468.12 g/mol.
Where can I buy BIM-0004418.P001?
You can request a quote for BIM-0004418.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0004418.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0004418.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.