RefChem:299603
TL;DR: RefChem:299603 (CAS 122772-22-9) is a chemical compound with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: BAS 00941654, 5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol, 5-(3,4-Dimethoxy-phenyl)-4-p-tolyl-4H-[1,2,4]triazole-3-thiol, AJ-292/12333004, 3-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C17H17N3O2S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.10416 |
| Heavy Atoms | 23 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 122772-22-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=C(C=C3)OC)OC |
| InChIKey | ZPDHCCBLCVTLJR-UHFFFAOYSA-N |
Product Overview
RefChem:299603 (CAS 122772-22-9), with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of RefChem:299603
Property Insights of RefChem:299603
The XLogP value of 3.5 indicates that RefChem:299603 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:299603. Following Lipinski's Rule of Five, RefChem:299603 has 1 hydrogen bond donor(s) and 4 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 RefChem:299603?
The CAS number of RefChem:299603 is 122772-22-9.
What is the molecular formula of RefChem:299603?
The molecular formula of RefChem:299603 is C17H17N3O2S.
What is the molecular weight of RefChem:299603?
The molecular weight of RefChem:299603 is 327.10 g/mol.
Where can I buy RefChem:299603?
You can request a quote for RefChem:299603 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:299603?
Yes, KEHONG BIO provides custom synthesis services for RefChem:299603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.