RefChem:442048
TL;DR: RefChem:442048 (CAS 624725-74-2) is a chemical compound with molecular formula C17H15Cl2N5OS and molecular weight 407.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 2,3-dichlorobenzaldehyde [3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]hydrazone, 4-(2-(2,3-Dichlorobenzylidene)hydrazinyl)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 2,3-DICHLOROBENZALDEHYDE (3-(4-ETHOXYPHENYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)HYDRAZONE, 4-[(2E)-2-(2,3-dichlorobenzylidene)hydrazinyl]-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-(4-ethoxyphenyl)-2H-1,2,4-triazole-3-thione
| Molecular Formula | C17H15Cl2N5OS |
|---|---|
| Molecular Weight | 407.04 g/mol |
| LogP | 4.89079 |
| Topological Polar Surface Area | 67.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.03745 |
| Heavy Atoms | 26 |
| Complexity | 981.5635 |
Chemical Identifiers
| CAS Number | 624725-74-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=C(C(=CC=C3)Cl)Cl |
Product Overview
RefChem:442048 (CAS 624725-74-2), with molecular formula C17H15Cl2N5OS and molecular weight 407.04 g/mol. IUPAC: 4-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of RefChem:442048
Property Insights of RefChem:442048
The XLogP value of 4.89079 indicates that RefChem:442048 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:442048. Following Lipinski's Rule of Five, RefChem:442048 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 RefChem:442048?
The CAS number of RefChem:442048 is 624725-74-2.
What is the molecular formula of RefChem:442048?
The molecular formula of RefChem:442048 is C17H15Cl2N5OS.
What is the molecular weight of RefChem:442048?
The molecular weight of RefChem:442048 is 407.04 g/mol.
Where can I buy RefChem:442048?
You can request a quote for RefChem:442048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:442048?
Yes, KEHONG BIO provides custom synthesis services for RefChem:442048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.