5-nitro-4-bromoisoquinoline
TL;DR: 5-nitro-4-bromoisoquinoline (CAS 478482-91-6) is a chemical compound with molecular formula C30H36N4O5 and molecular weight 532.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: 5-nitro-4-bromoisoquinoline, ASN 04448722, N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide, GNF-Pf-4313
| Molecular Formula | C30H36N4O5 |
|---|---|
| Molecular Weight | 532.27 g/mol |
| LogP | 4.49042 |
| Topological Polar Surface Area | 94.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 532.26855 |
| Heavy Atoms | 39 |
| Complexity | 1298.9364 |
Chemical Identifiers
| CAS Number | 478482-91-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N(C(C2=CN(N=C2C)C)C(=O)NC3CCCCC3)C(=O)C4COC5=CC=CC=C5O4 |
Product Overview
5-nitro-4-bromoisoquinoline (CAS 478482-91-6), with molecular formula C30H36N4O5 and molecular weight 532.27 g/mol. IUPAC: N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of 5-nitro-4-bromoisoquinoline
Property Insights of 5-nitro-4-bromoisoquinoline
The XLogP value of 4.49042 indicates that 5-nitro-4-bromoisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-nitro-4-bromoisoquinoline. Following Lipinski's Rule of Five, 5-nitro-4-bromoisoquinoline 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 5-nitro-4-bromoisoquinoline?
The CAS number of 5-nitro-4-bromoisoquinoline is 478482-91-6.
What is the molecular formula of 5-nitro-4-bromoisoquinoline?
The molecular formula of 5-nitro-4-bromoisoquinoline is C30H36N4O5.
What is the molecular weight of 5-nitro-4-bromoisoquinoline?
The molecular weight of 5-nitro-4-bromoisoquinoline is 532.27 g/mol.
Where can I buy 5-nitro-4-bromoisoquinoline?
You can request a quote for 5-nitro-4-bromoisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-nitro-4-bromoisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 5-nitro-4-bromoisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.