ChemDiv1_003537
TL;DR: ChemDiv1_003537 (CAS 332861-34-4) is a chemical compound with molecular formula C26H21F3N2O4 and molecular weight 482.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(furan-2-yl)-6-(4-methoxyphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_003537, BAS 01849517, 3-(2-FURYL)-11-(4-METHOXYPHENYL)-10-(2,2,2-TRIFLUOROACETYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 3-(furan-2-yl)-11-(4-methoxyphenyl)-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3-(furan-2-yl)-11-(4-methoxyphenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C26H21F3N2O4 |
|---|---|
| Molecular Weight | 482.15 g/mol |
| LogP | 5.7511 |
| Topological Polar Surface Area | 71.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 482.14536 |
| Heavy Atoms | 35 |
| Complexity | 1296.886 |
Chemical Identifiers
| CAS Number | 332861-34-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CO4)NC5=CC=CC=C5N2C(=O)C(F)(F)F |
Product Overview
ChemDiv1_003537 (CAS 332861-34-4), with molecular formula C26H21F3N2O4 and molecular weight 482.15 g/mol. IUPAC: 9-(furan-2-yl)-6-(4-methoxyphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_003537
Property Insights of ChemDiv1_003537
The XLogP value of 5.7511 indicates that ChemDiv1_003537 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003537. Following Lipinski's Rule of Five, ChemDiv1_003537 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003537?
The CAS number of ChemDiv1_003537 is 332861-34-4.
What is the molecular formula of ChemDiv1_003537?
The molecular formula of ChemDiv1_003537 is C26H21F3N2O4.
What is the molecular weight of ChemDiv1_003537?
The molecular weight of ChemDiv1_003537 is 482.15 g/mol.
Where can I buy ChemDiv1_003537?
You can request a quote for ChemDiv1_003537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003537?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.