RefChem:508674
TL;DR: RefChem:508674 (CAS 478254-72-7) is a chemical compound with molecular formula C23H19ClN4O2S and molecular weight 450.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: SALOR-INT L229415-1EA, 4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol, (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol, 3-(3-chlorophenyl)-4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-(((E)-(4-(BENZYLOXY)-3-METHOXYPHENYL)METHYLIDENE)AMINO)-5-(3-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C23H19ClN4O2S |
|---|---|
| Molecular Weight | 450.09 g/mol |
| LogP | 5.73089 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.09174 |
| Heavy Atoms | 31 |
| Complexity | 1268.0691 |
Chemical Identifiers
| CAS Number | 478254-72-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=N/N2C(=NNC2=S)C3=CC(=CC=C3)Cl)OCC4=CC=CC=C4 |
Product Overview
RefChem:508674 (CAS 478254-72-7), with molecular formula C23H19ClN4O2S and molecular weight 450.09 g/mol. IUPAC: 3-(3-chlorophenyl)-4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of RefChem:508674
Property Insights of RefChem:508674
The XLogP value of 5.73089 indicates that RefChem:508674 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:508674. Following Lipinski's Rule of Five, RefChem:508674 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:508674?
The CAS number of RefChem:508674 is 478254-72-7.
What is the molecular formula of RefChem:508674?
The molecular formula of RefChem:508674 is C23H19ClN4O2S.
What is the molecular weight of RefChem:508674?
The molecular weight of RefChem:508674 is 450.09 g/mol.
Where can I buy RefChem:508674?
You can request a quote for RefChem:508674 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:508674?
Yes, KEHONG BIO provides custom synthesis services for RefChem:508674 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.