![4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline structure](/static/products/1005/1005068-96-1.webp)
4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
TL;DR: 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CAS 1005068-96-1) is a chemical compound with molecular formula C21H21BrN2O5 and molecular weight 460.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Also Known As: 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
| Molecular Formula | C21H21BrN2O5 |
|---|---|
| Molecular Weight | 460.06 g/mol |
| LogP | 5.2096 |
| Topological Polar Surface Area | 82.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.0634 |
| Heavy Atoms | 29 |
| Complexity | 1007.05133 |
Chemical Identifiers
| CAS Number | 1005068-96-1 |
|---|---|
| SMILES | COC1=C2C(=C(C=C1)[N+](=O)[O-])C3C=CCC3C(N2)C4=CC(=C(C(=C4)Br)OC)OC |
Product Overview
4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CAS 1005068-96-1), with molecular formula C21H21BrN2O5 and molecular weight 460.06 g/mol. IUPAC: 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
Chemical Property Profile of 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Property Insights of 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
The XLogP value of 5.2096 indicates that 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline. Following Lipinski's Rule of Five, 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The CAS number of 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is 1005068-96-1.
What is the molecular formula of 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The molecular formula of 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is C21H21BrN2O5.
What is the molecular weight of 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The molecular weight of 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is 460.06 g/mol.
Where can I buy 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
You can request a quote for 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.