3-(4-Bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile
TL;DR: 3-(4-Bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile (CAS 19762-79-9) is a chemical compound with molecular formula C11H7BrN2S and molecular weight 277.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile
Also Known As: 3-(4-bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile, 3-(p-Bromophenyl)-5-methyl-4-isothiazolecarbonitrile, 3-(4-bromo-phenyl)-5-methyl-isothiazole-4-carbonitrile, 4-Isothiazolecarbonitrile, 3-(p-bromophenyl)-5-methyl-, 3-(4-Bromophenyl)-5-methyl-4-isothiazolecarbonitrile
| Molecular Formula | C11H7BrN2S |
|---|---|
| Molecular Weight | 277.95 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.95132 |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 19762-79-9 |
|---|---|
| SMILES | CC1=C(C(=NS1)C2=CC=C(C=C2)Br)C#N |
| InChIKey | OBFUELFEAPSJNC-UHFFFAOYSA-N |
Product Overview
3-(4-Bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile (CAS 19762-79-9), with molecular formula C11H7BrN2S and molecular weight 277.95 g/mol. IUPAC: 3-(4-bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-(4-Bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile
Property Insights of 3-(4-Bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile
The XLogP value of 3.5 indicates that 3-(4-Bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile has 0 hydrogen bond donor(s) and 3 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-(4-Bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile?
The CAS number of 3-(4-Bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile is 19762-79-9.
What is the molecular formula of 3-(4-Bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile?
The molecular formula of 3-(4-Bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile is C11H7BrN2S.
What is the molecular weight of 3-(4-Bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile?
The molecular weight of 3-(4-Bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile is 277.95 g/mol.
Where can I buy 3-(4-Bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile?
You can request a quote for 3-(4-Bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenyl)-5-methyl-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.