J3.648.670H
TL;DR: J3.648.670H (CAS 500272-40-2) is a chemical compound with molecular formula C19H20N4O3S and molecular weight 384.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-methylphenyl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: J3.648.670H, (E)-4-((4-methylbenzylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-((4-ME-BENZYLIDENE)AMINO)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-(4-Methylbenzylideneamino)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione, 4-[(E)-(4-methylphenyl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C19H20N4O3S |
|---|---|
| Molecular Weight | 384.13 g/mol |
| LogP | 3.82411 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.1256 |
| Heavy Atoms | 27 |
| Complexity | 997.1743 |
Chemical Identifiers
| CAS Number | 500272-40-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
J3.648.670H (CAS 500272-40-2), with molecular formula C19H20N4O3S and molecular weight 384.13 g/mol. IUPAC: 4-[(E)-(4-methylphenyl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of J3.648.670H
Property Insights of J3.648.670H
The XLogP value of 3.82411 indicates that J3.648.670H 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 J3.648.670H. Following Lipinski's Rule of Five, J3.648.670H 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 J3.648.670H?
The CAS number of J3.648.670H is 500272-40-2.
What is the molecular formula of J3.648.670H?
The molecular formula of J3.648.670H is C19H20N4O3S.
What is the molecular weight of J3.648.670H?
The molecular weight of J3.648.670H is 384.13 g/mol.
Where can I buy J3.648.670H?
You can request a quote for J3.648.670H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.648.670H?
Yes, KEHONG BIO provides custom synthesis services for J3.648.670H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.