ChemDiv1_003577
TL;DR: ChemDiv1_003577 (CAS 406914-67-8) is a chemical compound with molecular formula C26H27F3N2O3 and molecular weight 472.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-6-(3-propoxyphenyl)-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_003577, 3,3-dimethyl-11-(3-propoxyphenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9,9-dimethyl-6-(3-propoxyphenyl)-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 3,3-DIMETHYL-11-(3-PROPOXYPHENYL)-10-(2,2,2-TRIFLUOROACETYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 2,2,2-trifluoro-1-[1-hydroxy-3,3-dimethyl-11-(3-propoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
| Molecular Formula | C26H27F3N2O3 |
|---|---|
| Molecular Weight | 472.20 g/mol |
| LogP | 6.1807 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.1974 |
| Heavy Atoms | 34 |
| Complexity | 1153.975 |
Chemical Identifiers
| CAS Number | 406914-67-8 |
|---|---|
| SMILES | CCCOC1=CC=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=O)C(F)(F)F |
Product Overview
ChemDiv1_003577 (CAS 406914-67-8), with molecular formula C26H27F3N2O3 and molecular weight 472.20 g/mol. IUPAC: 9,9-dimethyl-6-(3-propoxyphenyl)-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_003577
Property Insights of ChemDiv1_003577
The XLogP value of 6.1807 indicates that ChemDiv1_003577 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, ChemDiv1_003577 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_003577 has 1 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_003577?
The CAS number of ChemDiv1_003577 is 406914-67-8.
What is the molecular formula of ChemDiv1_003577?
The molecular formula of ChemDiv1_003577 is C26H27F3N2O3.
What is the molecular weight of ChemDiv1_003577?
The molecular weight of ChemDiv1_003577 is 472.20 g/mol.
Where can I buy ChemDiv1_003577?
You can request a quote for ChemDiv1_003577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003577?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.