2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile
TL;DR: 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile (CAS 87947-31-7) is a chemical compound with molecular formula C16H12BrN3O and molecular weight 341.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile
Also Known As: 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile, BIM-0016308.P001, AB00078687-01, 2,7-DIAMINO-4-(4-BROMO-PHENYL)-4H-CHROMENE-3-CARBONITRILE
| Molecular Formula | C16H12BrN3O |
|---|---|
| Molecular Weight | 341.02 g/mol |
| LogP | 3.24948 |
| Topological Polar Surface Area | 85.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 341.01636 |
| Heavy Atoms | 21 |
| Complexity | 775.09937 |
Chemical Identifiers
| CAS Number | 87947-31-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2C3=C(C=C(C=C3)N)OC(=C2C#N)N)Br |
Product Overview
2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile (CAS 87947-31-7), with molecular formula C16H12BrN3O and molecular weight 341.02 g/mol. IUPAC: 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile.
Chemical Property Profile of 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile
Property Insights of 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile
The XLogP value of 3.24948 indicates that 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile. Following Lipinski's Rule of Five, 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile 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 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile?
The CAS number of 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile is 87947-31-7.
What is the molecular formula of 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile?
The molecular formula of 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile is C16H12BrN3O.
What is the molecular weight of 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile?
The molecular weight of 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile is 341.02 g/mol.
Where can I buy 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile?
You can request a quote for 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,7-diamino-4-(4-bromophenyl)-4H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.