2,6-Diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile
TL;DR: 2,6-Diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile (CAS 327099-71-8) is a chemical compound with molecular formula C13H10BrN5 and molecular weight 315.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile
Also Known As: 2,6-diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile
| Molecular Formula | C13H10BrN5 |
|---|---|
| Molecular Weight | 315.01 g/mol |
| LogP | 1.52366 |
| Topological Polar Surface Area | 111.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.01196 |
| Heavy Atoms | 19 |
| Complexity | 639.0094 |
Chemical Identifiers
| CAS Number | 327099-71-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2C(=C(NC(=C2C#N)N)N)C#N)Br |
Product Overview
2,6-Diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile (CAS 327099-71-8), with molecular formula C13H10BrN5 and molecular weight 315.01 g/mol. IUPAC: 2,6-diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile.
Chemical Property Profile of 2,6-Diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile
Property Insights of 2,6-Diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile
The XLogP value of 1.52366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile. The TPSA of 111.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2,6-Diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile has 3 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 2,6-Diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The CAS number of 2,6-Diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile is 327099-71-8.
What is the molecular formula of 2,6-Diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The molecular formula of 2,6-Diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile is C13H10BrN5.
What is the molecular weight of 2,6-Diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The molecular weight of 2,6-Diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile is 315.01 g/mol.
Where can I buy 2,6-Diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile?
You can request a quote for 2,6-Diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Diamino-4-(2-bromophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.