ChemDiv1_005352
TL;DR: ChemDiv1_005352 (CAS 354538-84-4) is a chemical compound with molecular formula C25H18F3N3O5 and molecular weight 497.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(furan-2-yl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_005352, 11-(2-furyl)-3-{3-nitrophenyl}-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(furan-2-yl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 11-(2-FURYL)-3-(3-NITROPHENYL)-10-(2,2,2-TRIFLUOROACETYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 11-(furan-2-yl)-3-(3-nitrophenyl)-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C25H18F3N3O5 |
|---|---|
| Molecular Weight | 497.12 g/mol |
| LogP | 5.6507 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 497.11984 |
| Heavy Atoms | 36 |
| Complexity | 1397.9263 |
Chemical Identifiers
| CAS Number | 354538-84-4 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=CC=CC=C3N(C2C4=CC=CO4)C(=O)C(F)(F)F)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
ChemDiv1_005352 (CAS 354538-84-4), with molecular formula C25H18F3N3O5 and molecular weight 497.12 g/mol. IUPAC: 6-(furan-2-yl)-9-(3-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_005352
Property Insights of ChemDiv1_005352
The XLogP value of 5.6507 indicates that ChemDiv1_005352 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005352. Following Lipinski's Rule of Five, ChemDiv1_005352 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005352?
The CAS number of ChemDiv1_005352 is 354538-84-4.
What is the molecular formula of ChemDiv1_005352?
The molecular formula of ChemDiv1_005352 is C25H18F3N3O5.
What is the molecular weight of ChemDiv1_005352?
The molecular weight of ChemDiv1_005352 is 497.12 g/mol.
Where can I buy ChemDiv1_005352?
You can request a quote for ChemDiv1_005352 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005352?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005352 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.