C15H15ClN6S
TL;DR: C15H15ClN6S (CAS 1045864-24-1) is a chemical compound with molecular formula C15H15ClN6S and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-amine
Also Known As: 3-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine, 3-[3-(4-chlorophenyl)pyrazol-5-yl]-5-(2-methylprop-2-enylthio)-1,2,4-triazole- 4-ylamine, 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-amine, 3-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine, C15H15ClN6S
| Molecular Formula | C15H15ClN6S |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 3.3706 |
| Topological Polar Surface Area | 85.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.07675 |
| Heavy Atoms | 23 |
| Complexity | 836.0316 |
Chemical Identifiers
| CAS Number | 1045864-24-1 |
|---|---|
| SMILES | CC(=C)CSC1=NN=C(N1N)C2=CC(=NN2)C3=CC=C(C=C3)Cl |
Product Overview
C15H15ClN6S (CAS 1045864-24-1), with molecular formula C15H15ClN6S and molecular weight 346.08 g/mol. IUPAC: 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of C15H15ClN6S
Property Insights of C15H15ClN6S
The XLogP value of 3.3706 indicates that C15H15ClN6S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.41 Ų falls within the moderate polarity range, balancing permeability and solubility for C15H15ClN6S. Following Lipinski's Rule of Five, C15H15ClN6S has 2 hydrogen bond donor(s) and 5 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 C15H15ClN6S?
The CAS number of C15H15ClN6S is 1045864-24-1.
What is the molecular formula of C15H15ClN6S?
The molecular formula of C15H15ClN6S is C15H15ClN6S.
What is the molecular weight of C15H15ClN6S?
The molecular weight of C15H15ClN6S is 346.08 g/mol.
Where can I buy C15H15ClN6S?
You can request a quote for C15H15ClN6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H15ClN6S?
Yes, KEHONG BIO provides custom synthesis services for C15H15ClN6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.