ChemDiv1_010234
TL;DR: ChemDiv1_010234 (CAS 6034-53-3) is a chemical compound with molecular formula C18H14BrClN2O3 and molecular weight 419.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-8-chloro-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-ol
Also Known As: ChemDiv1_010234, BIM-0021689.P001, 4-(4-bromophenyl)-8-chloro-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-ol, 4-(4-BROMOPHENYL)-8-CHLORO-9-NITRO-3H,3AH,4H,5H,9BH-CYCLOPENTA[C]QUINOLIN-6-OL, 3H-Cyclopenta[c]quinolin-6-ol, 4-(4-bromophenyl)-8-chloro-3a,4,5,9b-tetrahydro-9-nitro-
| Molecular Formula | C18H14BrClN2O3 |
|---|---|
| Molecular Weight | 419.99 g/mol |
| LogP | 5.5428 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 419.98764 |
| Heavy Atoms | 25 |
| Complexity | 898.18445 |
Chemical Identifiers
| CAS Number | 6034-53-3 |
|---|---|
| SMILES | C1C=CC2C1C(NC3=C2C(=C(C=C3O)Cl)[N+](=O)[O-])C4=CC=C(C=C4)Br |
Product Overview
ChemDiv1_010234 (CAS 6034-53-3), with molecular formula C18H14BrClN2O3 and molecular weight 419.99 g/mol. IUPAC: 4-(4-bromophenyl)-8-chloro-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-ol.
Chemical Property Profile of ChemDiv1_010234
Property Insights of ChemDiv1_010234
The XLogP value of 5.5428 indicates that ChemDiv1_010234 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010234. Following Lipinski's Rule of Five, ChemDiv1_010234 has 2 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_010234?
The CAS number of ChemDiv1_010234 is 6034-53-3.
What is the molecular formula of ChemDiv1_010234?
The molecular formula of ChemDiv1_010234 is C18H14BrClN2O3.
What is the molecular weight of ChemDiv1_010234?
The molecular weight of ChemDiv1_010234 is 419.99 g/mol.
Where can I buy ChemDiv1_010234?
You can request a quote for ChemDiv1_010234 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010234?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010234 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.