ChemDiv3_005456
TL;DR: ChemDiv3_005456 (CAS 438476-50-7) is a chemical compound with molecular formula C23H17F3N2O4 and molecular weight 442.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,9-bis(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv3_005456, IDI1_023366, BRD-A28497873-001-01-5, 6,9-bis(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 6,9-bis(2-furyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C23H17F3N2O4 |
|---|---|
| Molecular Weight | 442.11 g/mol |
| LogP | 5.3355 |
| Topological Polar Surface Area | 75.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 442.11404 |
| Heavy Atoms | 32 |
| Complexity | 1196.3193 |
Chemical Identifiers
| CAS Number | 438476-50-7 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=CC=CC=C3N(C2C4=CC=CO4)C(=O)C(F)(F)F)C5=CC=CO5 |
Product Overview
ChemDiv3_005456 (CAS 438476-50-7), with molecular formula C23H17F3N2O4 and molecular weight 442.11 g/mol. IUPAC: 6,9-bis(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv3_005456
Property Insights of ChemDiv3_005456
The XLogP value of 5.3355 indicates that ChemDiv3_005456 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005456. Following Lipinski's Rule of Five, ChemDiv3_005456 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 ChemDiv3_005456?
The CAS number of ChemDiv3_005456 is 438476-50-7.
What is the molecular formula of ChemDiv3_005456?
The molecular formula of ChemDiv3_005456 is C23H17F3N2O4.
What is the molecular weight of ChemDiv3_005456?
The molecular weight of ChemDiv3_005456 is 442.11 g/mol.
Where can I buy ChemDiv3_005456?
You can request a quote for ChemDiv3_005456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005456?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.