AB00106484-01
TL;DR: AB00106484-01 (CAS 354785-23-2) is a chemical compound with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-4-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: AB00106484-01, 3-phenyl-4-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, AN-655/14766066, 5-phenyl-4-[(2,4,6-trimethoxybenzylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide, (E)-5-phenyl-4-((2,4,6-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C18H18N4O3S |
|---|---|
| Molecular Weight | 370.11 g/mol |
| LogP | 3.51569 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.10995 |
| Heavy Atoms | 26 |
| Complexity | 954.59644 |
Chemical Identifiers
| CAS Number | 354785-23-2 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)OC)/C=N/N2C(=NNC2=S)C3=CC=CC=C3)OC |
Product Overview
AB00106484-01 (CAS 354785-23-2), with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol. IUPAC: 3-phenyl-4-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of AB00106484-01
Property Insights of AB00106484-01
The XLogP value of 3.51569 indicates that AB00106484-01 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 AB00106484-01. Following Lipinski's Rule of Five, AB00106484-01 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 AB00106484-01?
The CAS number of AB00106484-01 is 354785-23-2.
What is the molecular formula of AB00106484-01?
The molecular formula of AB00106484-01 is C18H18N4O3S.
What is the molecular weight of AB00106484-01?
The molecular weight of AB00106484-01 is 370.11 g/mol.
Where can I buy AB00106484-01?
You can request a quote for AB00106484-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106484-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106484-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.