ChemDiv1_028277
TL;DR: ChemDiv1_028277 (CAS 348593-52-2) is a chemical compound with molecular formula C22H26N4O2S and molecular weight 410.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethoxyphenyl)-4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione
Also Known As: ChemDiv1_028277, MixCom6_000469, A2685/0114480, 5-(3,4-dimethoxyphenyl)-4-phenyl-2-(piperidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-(3,4-dimethoxyphenyl)-4-phenyl-1-(piperidin-1-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione
| Molecular Formula | C22H26N4O2S |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 4.53089 |
| Topological Polar Surface Area | 44.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.17764 |
| Heavy Atoms | 29 |
| Complexity | 1023.0367 |
Chemical Identifiers
| CAS Number | 348593-52-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCCCC4)OC |
Product Overview
ChemDiv1_028277 (CAS 348593-52-2), with molecular formula C22H26N4O2S and molecular weight 410.18 g/mol. IUPAC: 5-(3,4-dimethoxyphenyl)-4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione.
Chemical Property Profile of ChemDiv1_028277
Property Insights of ChemDiv1_028277
The XLogP value of 4.53089 indicates that ChemDiv1_028277 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.45 Ų, ChemDiv1_028277 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_028277 has 0 hydrogen bond donor(s) and 5 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 ChemDiv1_028277?
The CAS number of ChemDiv1_028277 is 348593-52-2.
What is the molecular formula of ChemDiv1_028277?
The molecular formula of ChemDiv1_028277 is C22H26N4O2S.
What is the molecular weight of ChemDiv1_028277?
The molecular weight of ChemDiv1_028277 is 410.18 g/mol.
Where can I buy ChemDiv1_028277?
You can request a quote for ChemDiv1_028277 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028277?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028277 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.