ChemDiv3_005488
TL;DR: ChemDiv3_005488 (CAS 494747-69-2) is a chemical compound with molecular formula C14H14ClN5OS and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-1-methylpyrazol-3-yl)-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: ChemDiv3_005488, IDI1_023398, 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, BRD-K28937104-001-01-9, 3-(4-chloro-1-methylpyrazol-3-yl)-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C14H14ClN5OS |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 3.38249 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.06076 |
| Heavy Atoms | 22 |
| Complexity | 848.99304 |
Chemical Identifiers
| CAS Number | 494747-69-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NNC2=S)C3=NN(C=C3Cl)C |
Product Overview
ChemDiv3_005488 (CAS 494747-69-2), with molecular formula C14H14ClN5OS and molecular weight 335.06 g/mol. IUPAC: 3-(4-chloro-1-methylpyrazol-3-yl)-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of ChemDiv3_005488
Property Insights of ChemDiv3_005488
The XLogP value of 3.38249 indicates that ChemDiv3_005488 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005488. Following Lipinski's Rule of Five, ChemDiv3_005488 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 ChemDiv3_005488?
The CAS number of ChemDiv3_005488 is 494747-69-2.
What is the molecular formula of ChemDiv3_005488?
The molecular formula of ChemDiv3_005488 is C14H14ClN5OS.
What is the molecular weight of ChemDiv3_005488?
The molecular weight of ChemDiv3_005488 is 335.06 g/mol.
Where can I buy ChemDiv3_005488?
You can request a quote for ChemDiv3_005488 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005488?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005488 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.