TimTec1_000076
TL;DR: TimTec1_000076 (CAS 329212-81-9) is a chemical compound with molecular formula C23H19Cl2F3N2O2 and molecular weight 482.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,4-dichlorophenyl)-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: TimTec1_000076, 6-(2,4-dichlorophenyl)-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, BRD-A85017497-001-01-7, 11-(2,4-dichlorophenyl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 1-[11-(2,4-dichlorophenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone
| Molecular Formula | C23H19Cl2F3N2O2 |
|---|---|
| Molecular Weight | 482.08 g/mol |
| LogP | 6.6987 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 482.07758 |
| Heavy Atoms | 32 |
| Complexity | 1158.1708 |
Chemical Identifiers
| CAS Number | 329212-81-9 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C(F)(F)F)C4=C(C=C(C=C4)Cl)Cl)C(=O)C1)C |
Product Overview
TimTec1_000076 (CAS 329212-81-9), with molecular formula C23H19Cl2F3N2O2 and molecular weight 482.08 g/mol. IUPAC: 6-(2,4-dichlorophenyl)-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of TimTec1_000076
Property Insights of TimTec1_000076
The XLogP value of 6.6987 indicates that TimTec1_000076 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, TimTec1_000076 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_000076 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TimTec1_000076?
The CAS number of TimTec1_000076 is 329212-81-9.
What is the molecular formula of TimTec1_000076?
The molecular formula of TimTec1_000076 is C23H19Cl2F3N2O2.
What is the molecular weight of TimTec1_000076?
The molecular weight of TimTec1_000076 is 482.08 g/mol.
Where can I buy TimTec1_000076?
You can request a quote for TimTec1_000076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_000076?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_000076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.