4-( antipyrinehydrobromide
TL;DR: 4-( antipyrinehydrobromide (CAS 87236-33-7) is a chemical compound with molecular formula C14H16BrN5OS and molecular weight 381.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpyrazol-3-one;hydrobromide
Also Known As: 4-( antipyrinehydrobromide, 4-((5-Methyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide, 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-((5-methyl-1H-1,2,4-triazol-3-yl)thio)-2-phenyl-, monohydrobromide, Antipyrine, 4-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrobromide, 1,5-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-
| Molecular Formula | C14H16BrN5OS |
|---|---|
| Molecular Weight | 381.03 g/mol |
| LogP | 2.64004 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.02588 |
| Heavy Atoms | 22 |
| Complexity | 836.7879 |
Chemical Identifiers
| CAS Number | 87236-33-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)SC3=NNC(=N3)C.Br |
Product Overview
4-( antipyrinehydrobromide (CAS 87236-33-7), with molecular formula C14H16BrN5OS and molecular weight 381.03 g/mol. IUPAC: 1,5-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpyrazol-3-one;hydrobromide.
Chemical Property Profile of 4-( antipyrinehydrobromide
Property Insights of 4-( antipyrinehydrobromide
The XLogP value of 2.64004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-( antipyrinehydrobromide. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-( antipyrinehydrobromide. Following Lipinski's Rule of Five, 4-( antipyrinehydrobromide 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-( antipyrinehydrobromide?
The CAS number of 4-( antipyrinehydrobromide is 87236-33-7.
What is the molecular formula of 4-( antipyrinehydrobromide?
The molecular formula of 4-( antipyrinehydrobromide is C14H16BrN5OS.
What is the molecular weight of 4-( antipyrinehydrobromide?
The molecular weight of 4-( antipyrinehydrobromide is 381.03 g/mol.
Where can I buy 4-( antipyrinehydrobromide?
You can request a quote for 4-( antipyrinehydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-( antipyrinehydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 4-( antipyrinehydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.