RefChem:508670
TL;DR: RefChem:508670 (CAS 478257-91-9) is a chemical compound with molecular formula C23H20N4O2S and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxyphenyl)-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: Salor-int l232181-1ea, 4-({(E)-[3-(benzyloxy)phenyl]methylidene}amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-(((E)-(3-(Benzyloxy)phenyl)methylidene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-({(E)-[3-(benzyloxy)phenyl]methylidene}amino)-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C23H20N4O2S |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 5.07749 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.1307 |
| Heavy Atoms | 30 |
| Complexity | 1215.1176 |
Chemical Identifiers
| CAS Number | 478257-91-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)OCC4=CC=CC=C4 |
Product Overview
RefChem:508670 (CAS 478257-91-9), with molecular formula C23H20N4O2S and molecular weight 416.13 g/mol. IUPAC: 3-(3-methoxyphenyl)-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of RefChem:508670
Property Insights of RefChem:508670
The XLogP value of 5.07749 indicates that RefChem:508670 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:508670. Following Lipinski's Rule of Five, RefChem:508670 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:508670?
The CAS number of RefChem:508670 is 478257-91-9.
What is the molecular formula of RefChem:508670?
The molecular formula of RefChem:508670 is C23H20N4O2S.
What is the molecular weight of RefChem:508670?
The molecular weight of RefChem:508670 is 416.13 g/mol.
Where can I buy RefChem:508670?
You can request a quote for RefChem:508670 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:508670?
Yes, KEHONG BIO provides custom synthesis services for RefChem:508670 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.