C17H15BrN6O2S
TL;DR: C17H15BrN6O2S (CAS 298683-95-1) is a chemical compound with molecular formula C17H15BrN6O2S and molecular weight 446.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-methyl-N'-[4-(pyrimidin-2-ylsulfanylmethyl)benzoyl]pyrazole-3-carbohydrazide
Also Known As: BAS 02052907, A2088/0087784, 4-bromo-1-methyl-N'-(4-((pyrimidin-2-ylthio)methyl)benzoyl)-1H-pyrazole-3-carbohydrazide, (4-bromo-1-methylpyrazol-3-yl)-N-{[4-(pyrimidin-2-ylthiomethyl)phenyl]carbonyl amino}carboxamide, 4-bromo-1-methyl-N'-({4-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}carbonyl)-1H-pyrazole-3-carbohydrazide
| Molecular Formula | C17H15BrN6O2S |
|---|---|
| Molecular Weight | 446.02 g/mol |
| LogP | 2.3397 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.01605 |
| Heavy Atoms | 27 |
| Complexity | 945.8173 |
Chemical Identifiers
| CAS Number | 298683-95-1 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC=CC=N3)Br |
Product Overview
C17H15BrN6O2S (CAS 298683-95-1), with molecular formula C17H15BrN6O2S and molecular weight 446.02 g/mol. IUPAC: 4-bromo-1-methyl-N'-[4-(pyrimidin-2-ylsulfanylmethyl)benzoyl]pyrazole-3-carbohydrazide.
Chemical Property Profile of C17H15BrN6O2S
Property Insights of C17H15BrN6O2S
The XLogP value of 2.3397 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H15BrN6O2S. The TPSA of 101.8 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H15BrN6O2S. Following Lipinski's Rule of Five, C17H15BrN6O2S has 2 hydrogen bond donor(s) and 6 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 C17H15BrN6O2S?
The CAS number of C17H15BrN6O2S is 298683-95-1.
What is the molecular formula of C17H15BrN6O2S?
The molecular formula of C17H15BrN6O2S is C17H15BrN6O2S.
What is the molecular weight of C17H15BrN6O2S?
The molecular weight of C17H15BrN6O2S is 446.02 g/mol.
Where can I buy C17H15BrN6O2S?
You can request a quote for C17H15BrN6O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H15BrN6O2S?
Yes, KEHONG BIO provides custom synthesis services for C17H15BrN6O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.