ChemDiv1_003785
TL;DR: ChemDiv1_003785 (CAS 360790-11-0) is a chemical compound with molecular formula C20H19BrN2O3 and molecular weight 414.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromophenyl)-8-ethoxy-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Also Known As: ChemDiv1_003785, BAS 01039454, BIM-0045759.P001, 4-(2-bromophenyl)-8-ethoxy-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline, 4-(2-bromophenyl)-8-(ethyloxy)-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
| Molecular Formula | C20H19BrN2O3 |
|---|---|
| Molecular Weight | 414.06 g/mol |
| LogP | 5.5825 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.05792 |
| Heavy Atoms | 26 |
| Complexity | 896.6202 |
Chemical Identifiers
| CAS Number | 360790-11-0 |
|---|---|
| SMILES | CCOC1=CC2=C(C(=C1)[N+](=O)[O-])NC(C3C2C=CC3)C4=CC=CC=C4Br |
Product Overview
ChemDiv1_003785 (CAS 360790-11-0), with molecular formula C20H19BrN2O3 and molecular weight 414.06 g/mol. IUPAC: 4-(2-bromophenyl)-8-ethoxy-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
Chemical Property Profile of ChemDiv1_003785
Property Insights of ChemDiv1_003785
The XLogP value of 5.5825 indicates that ChemDiv1_003785 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003785. Following Lipinski's Rule of Five, ChemDiv1_003785 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_003785?
The CAS number of ChemDiv1_003785 is 360790-11-0.
What is the molecular formula of ChemDiv1_003785?
The molecular formula of ChemDiv1_003785 is C20H19BrN2O3.
What is the molecular weight of ChemDiv1_003785?
The molecular weight of ChemDiv1_003785 is 414.06 g/mol.
Where can I buy ChemDiv1_003785?
You can request a quote for ChemDiv1_003785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003785?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.