3-Bromo-2,6-dihydroxy-5-nitrobenzonitrile
TL;DR: 3-Bromo-2,6-dihydroxy-5-nitrobenzonitrile (CAS 647824-54-2) is a chemical compound with molecular formula C7H3BrN2O4 and molecular weight 257.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2,6-dihydroxy-5-nitrobenzonitrile
Also Known As: 3-bromo-2,6-dihydroxy-5-nitrobenzonitrile, 3-bromo-2,6-dihydroxy-5-nitro-benzonitrile
| Molecular Formula | C7H3BrN2O4 |
|---|---|
| Molecular Weight | 257.93 g/mol |
| LogP | 1.64018 |
| Topological Polar Surface Area | 107.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.9276 |
| Heavy Atoms | 14 |
| Complexity | 451.98352 |
Chemical Identifiers
| CAS Number | 647824-54-2 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Br)O)C#N)O)[N+](=O)[O-] |
Product Overview
3-Bromo-2,6-dihydroxy-5-nitrobenzonitrile (CAS 647824-54-2), with molecular formula C7H3BrN2O4 and molecular weight 257.93 g/mol. IUPAC: 3-bromo-2,6-dihydroxy-5-nitrobenzonitrile.
Chemical Property Profile of 3-Bromo-2,6-dihydroxy-5-nitrobenzonitrile
Property Insights of 3-Bromo-2,6-dihydroxy-5-nitrobenzonitrile
The XLogP value of 1.64018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2,6-dihydroxy-5-nitrobenzonitrile. The TPSA of 107.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-2,6-dihydroxy-5-nitrobenzonitrile. Following Lipinski's Rule of Five, 3-Bromo-2,6-dihydroxy-5-nitrobenzonitrile has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Bromo-2,6-dihydroxy-5-nitrobenzonitrile?
The CAS number of 3-Bromo-2,6-dihydroxy-5-nitrobenzonitrile is 647824-54-2.
What is the molecular formula of 3-Bromo-2,6-dihydroxy-5-nitrobenzonitrile?
The molecular formula of 3-Bromo-2,6-dihydroxy-5-nitrobenzonitrile is C7H3BrN2O4.
What is the molecular weight of 3-Bromo-2,6-dihydroxy-5-nitrobenzonitrile?
The molecular weight of 3-Bromo-2,6-dihydroxy-5-nitrobenzonitrile is 257.93 g/mol.
Where can I buy 3-Bromo-2,6-dihydroxy-5-nitrobenzonitrile?
You can request a quote for 3-Bromo-2,6-dihydroxy-5-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2,6-dihydroxy-5-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2,6-dihydroxy-5-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.