C18H16Cl2N4O3S
TL;DR: C18H16Cl2N4O3S (CAS 498570-36-8) is a chemical compound with molecular formula C18H16Cl2N4O3S and molecular weight 438.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((2,6-dichlorobenzylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(2,6-dichlorophenyl)-1-azavinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-tr iazole-3-thiol, 4-[(2,6-dichlorophenyl)methylideneamino]-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione, 4-{[(E)-(2,6-dichlorophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-{[(E)-(2,6-DICHLOROPHENYL)METHYLIDENE]AMINO}-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C18H16Cl2N4O3S |
|---|---|
| Molecular Weight | 438.03 g/mol |
| LogP | 4.82249 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.032 |
| Heavy Atoms | 28 |
| Complexity | 1049.4202 |
Chemical Identifiers
| CAS Number | 498570-36-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2/N=C/C3=C(C=CC=C3Cl)Cl |
Product Overview
C18H16Cl2N4O3S (CAS 498570-36-8), with molecular formula C18H16Cl2N4O3S and molecular weight 438.03 g/mol. IUPAC: 4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of C18H16Cl2N4O3S
Property Insights of C18H16Cl2N4O3S
The XLogP value of 4.82249 indicates that C18H16Cl2N4O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.66 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H16Cl2N4O3S. Following Lipinski's Rule of Five, C18H16Cl2N4O3S has 1 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 C18H16Cl2N4O3S?
The CAS number of C18H16Cl2N4O3S is 498570-36-8.
What is the molecular formula of C18H16Cl2N4O3S?
The molecular formula of C18H16Cl2N4O3S is C18H16Cl2N4O3S.
What is the molecular weight of C18H16Cl2N4O3S?
The molecular weight of C18H16Cl2N4O3S is 438.03 g/mol.
Where can I buy C18H16Cl2N4O3S?
You can request a quote for C18H16Cl2N4O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H16Cl2N4O3S?
Yes, KEHONG BIO provides custom synthesis services for C18H16Cl2N4O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.