4-(4-Bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile
TL;DR: 4-(4-Bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile (CAS 92131-78-7) is a chemical compound with molecular formula C11H5BrCl2N4 and molecular weight 341.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile
Also Known As: 4-(4-bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile, 4-((4-Bromophenyl)amino)-2,6-dichloropyrimidine-5-carbonitrile, 4-[(4-bromophenyl)amino]-2,6-dichloropyrimidine-5-carbonitrile, 4-(4-bromo-anilino)-2,6-dichloro-pyrimidine-5-carbonitrile, 5-Pyrimidinecarbonitrile,4-[(4-bromophenyl)amino]-2,6-dichloro-
| Molecular Formula | C11H5BrCl2N4 |
|---|---|
| Molecular Weight | 341.91 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.90747 |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 92131-78-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=C(C(=NC(=N2)Cl)Cl)C#N)Br |
| InChIKey | UPBYKBNGXSJIQU-UHFFFAOYSA-N |
Product Overview
4-(4-Bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile (CAS 92131-78-7), with molecular formula C11H5BrCl2N4 and molecular weight 341.91 g/mol. IUPAC: 4-(4-bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile.
Chemical Property Profile of 4-(4-Bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile
Property Insights of 4-(4-Bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile
The XLogP value of 5.0 indicates that 4-(4-Bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-(4-Bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile has 1 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-(4-Bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile?
The CAS number of 4-(4-Bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile is 92131-78-7.
What is the molecular formula of 4-(4-Bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile?
The molecular formula of 4-(4-Bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile is C11H5BrCl2N4.
What is the molecular weight of 4-(4-Bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile?
The molecular weight of 4-(4-Bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile is 341.91 g/mol.
Where can I buy 4-(4-Bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile?
You can request a quote for 4-(4-Bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromoanilino)-2,6-dichloropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.