RefChem:503727
TL;DR: RefChem:503727 (CAS 624725-66-2) is a chemical compound with molecular formula C16H17N5OS2 and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-4-[(2E)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
Also Known As: 3-methyl-2-thiophenecarbaldehyde [3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]hydrazone, 3-METHYL-2-THIOPHENECARBALDEHYDE (3-(4-ETHOXYPHENYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)HYDRAZONE, 4-{[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]amino}-5-(4-ethoxyphenyl)-1,2,4-tr iazole-3-thiol, 5-(4-Ethoxyphenyl)-4-(2-((3-methylthiophen-2-yl)methylene)hydrazinyl)-4H-1,2,4-triazole-3-thiol, 5-(4-ethoxyphenyl)-4-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazole-3-thione
| Molecular Formula | C16H17N5OS2 |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | 3.95391 |
| Topological Polar Surface Area | 67.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.08746 |
| Heavy Atoms | 24 |
| Complexity | 891.83606 |
Chemical Identifiers
| CAS Number | 624725-66-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=C(C=CS3)C |
Product Overview
RefChem:503727 (CAS 624725-66-2), with molecular formula C16H17N5OS2 and molecular weight 359.09 g/mol. IUPAC: 3-(4-ethoxyphenyl)-4-[(2E)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of RefChem:503727
Property Insights of RefChem:503727
The XLogP value of 3.95391 indicates that RefChem:503727 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.23 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:503727. Following Lipinski's Rule of Five, RefChem:503727 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 RefChem:503727?
The CAS number of RefChem:503727 is 624725-66-2.
What is the molecular formula of RefChem:503727?
The molecular formula of RefChem:503727 is C16H17N5OS2.
What is the molecular weight of RefChem:503727?
The molecular weight of RefChem:503727 is 359.09 g/mol.
Where can I buy RefChem:503727?
You can request a quote for RefChem:503727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:503727?
Yes, KEHONG BIO provides custom synthesis services for RefChem:503727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.