ChemDiv1_004017
TL;DR: ChemDiv1_004017 (CAS 312696-46-1) is a chemical compound with molecular formula C27H23F3N2O2 and molecular weight 464.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_004017, BAS 02170147, A2438/0103323, 3-(4-methoxyphenyl)-11-[3-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C27H23F3N2O2 |
|---|---|
| Molecular Weight | 464.17 g/mol |
| LogP | 6.6935 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.17117 |
| Heavy Atoms | 34 |
| Complexity | 1265.3668 |
Chemical Identifiers
| CAS Number | 312696-46-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=CC=C5)C(F)(F)F)C(=O)C2 |
Product Overview
ChemDiv1_004017 (CAS 312696-46-1), with molecular formula C27H23F3N2O2 and molecular weight 464.17 g/mol. IUPAC: 9-(4-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_004017
Property Insights of ChemDiv1_004017
The XLogP value of 6.6935 indicates that ChemDiv1_004017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, ChemDiv1_004017 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_004017 has 2 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 ChemDiv1_004017?
The CAS number of ChemDiv1_004017 is 312696-46-1.
What is the molecular formula of ChemDiv1_004017?
The molecular formula of ChemDiv1_004017 is C27H23F3N2O2.
What is the molecular weight of ChemDiv1_004017?
The molecular weight of ChemDiv1_004017 is 464.17 g/mol.
Where can I buy ChemDiv1_004017?
You can request a quote for ChemDiv1_004017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004017?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.