ChemDiv3_002288
TL;DR: ChemDiv3_002288 (CAS 355430-65-8) is a chemical compound with molecular formula C21H22Cl2N2O2 and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4-dichlorophenyl)-5-ethoxy-8,11,11-trimethyl-1,9-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-10-one
Also Known As: ChemDiv3_002288, 9-(3,4-dichlorophenyl)-6-ethoxy-2,2,4-trimethyl-3,4-dihydro-2H-4,1-(epiminomethano)quinolin-10-one, 10-(3,4-dichlorophenyl)-4-ethoxy-1,12,12-trimethyl-8,10-diazatricyclo[6.2.2.0< 2,7>]dodeca-2(7),3,5-trien-9-one, 9-(3,4-DICHLOROPHENYL)-5-ETHOXY-8,11,11-TRIMETHYL-1,9-DIAZATRICYCLO[6.2.2.0(2),?]DODECA-2,4,6-TRIEN-10-ONE, 9-(3,4-DICHLOROPHENYL)-5-ETHOXY-8,11,11-TRIMETHYL-1,9-DIAZATRICYCLO[6.2.2.0~2,7~]DODECA-2,4,6-TRIEN-10-ONE
| Molecular Formula | C21H22Cl2N2O2 |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 6.2362 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.10583 |
| Heavy Atoms | 27 |
| Complexity | 943.774 |
Chemical Identifiers
| CAS Number | 355430-65-8 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N3C(=O)N(C2(CC3(C)C)C)C4=CC(=C(C=C4)Cl)Cl |
Product Overview
ChemDiv3_002288 (CAS 355430-65-8), with molecular formula C21H22Cl2N2O2 and molecular weight 404.11 g/mol. IUPAC: 9-(3,4-dichlorophenyl)-5-ethoxy-8,11,11-trimethyl-1,9-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-10-one.
Chemical Property Profile of ChemDiv3_002288
Property Insights of ChemDiv3_002288
The XLogP value of 6.2362 indicates that ChemDiv3_002288 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, ChemDiv3_002288 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_002288 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_002288?
The CAS number of ChemDiv3_002288 is 355430-65-8.
What is the molecular formula of ChemDiv3_002288?
The molecular formula of ChemDiv3_002288 is C21H22Cl2N2O2.
What is the molecular weight of ChemDiv3_002288?
The molecular weight of ChemDiv3_002288 is 404.11 g/mol.
Where can I buy ChemDiv3_002288?
You can request a quote for ChemDiv3_002288 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002288?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002288 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.