4,6-Diamino-2-bromo-3-pyridinecarbonitrile
TL;DR: 4,6-Diamino-2-bromo-3-pyridinecarbonitrile (CAS 42530-03-0) is a chemical compound with molecular formula C6H5BrN4 and molecular weight 211.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-diamino-2-bromopyridine-3-carbonitrile
Also Known As: 4,6-Diamino-2-bromonicotinonitrile, 4,6-diamino-2-bromopyridine-3-carbonitrile, 2,4-Diamino-5-cyano-6-bromopyridine, 6-Bromofuro[3,2-b]pyridine, 4,6-Diamino-2-bromo-nicotinonitrile
| Molecular Formula | C6H5BrN4 |
|---|---|
| Molecular Weight | 211.97 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.96976 |
| Heavy Atoms | 11 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 42530-03-0 |
|---|---|
| SMILES | C1=C(C(=C(N=C1N)Br)C#N)N |
| InChIKey | NKXPRYBNUGINBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Diamino-2-bromo-3-pyridinecarbonitrile (CAS 42530-03-0), with molecular formula C6H5BrN4 and molecular weight 211.97 g/mol. IUPAC: 4,6-diamino-2-bromopyridine-3-carbonitrile.
Chemical Property Profile of 4,6-Diamino-2-bromo-3-pyridinecarbonitrile
Property Insights of 4,6-Diamino-2-bromo-3-pyridinecarbonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Diamino-2-bromo-3-pyridinecarbonitrile. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Diamino-2-bromo-3-pyridinecarbonitrile. Following Lipinski's Rule of Five, 4,6-Diamino-2-bromo-3-pyridinecarbonitrile has 2 hydrogen bond donor(s) and 4 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 4,6-Diamino-2-bromo-3-pyridinecarbonitrile?
The CAS number of 4,6-Diamino-2-bromo-3-pyridinecarbonitrile is 42530-03-0.
What is the molecular formula of 4,6-Diamino-2-bromo-3-pyridinecarbonitrile?
The molecular formula of 4,6-Diamino-2-bromo-3-pyridinecarbonitrile is C6H5BrN4.
What is the molecular weight of 4,6-Diamino-2-bromo-3-pyridinecarbonitrile?
The molecular weight of 4,6-Diamino-2-bromo-3-pyridinecarbonitrile is 211.97 g/mol.
Where can I buy 4,6-Diamino-2-bromo-3-pyridinecarbonitrile?
You can request a quote for 4,6-Diamino-2-bromo-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Diamino-2-bromo-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Diamino-2-bromo-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.