A1683/0071830
TL;DR: A1683/0071830 (CAS 312265-58-0) is a chemical compound with molecular formula C22H26N4OS and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylpiperidin-1-yl)methyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole-3-thione
Also Known As: A1683/0071830, 2-[(4-methylpiperidin-1-yl)methyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole-3-thione, 2-[(4-methylpiperidin-1-yl)methyl]-5-(phenoxymethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 1-((4-methylpiperidin-1-yl)methyl)-3-(phenoxymethyl)-4-phenyl-1H-1,2,4-triazole-5(4H)-thione, 1-[(4-METHYLPIPERIDIN-1-YL)METHYL]-3-(PHENOXYMETHYL)-4-PHENYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE
| Molecular Formula | C22H26N4OS |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | 4.67169 |
| Topological Polar Surface Area | 35.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.18274 |
| Heavy Atoms | 28 |
| Complexity | 943.67303 |
Chemical Identifiers
| CAS Number | 312265-58-0 |
|---|---|
| SMILES | CC1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
A1683/0071830 (CAS 312265-58-0), with molecular formula C22H26N4OS and molecular weight 394.18 g/mol. IUPAC: 2-[(4-methylpiperidin-1-yl)methyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole-3-thione.
Chemical Property Profile of A1683/0071830
Property Insights of A1683/0071830
The XLogP value of 4.67169 indicates that A1683/0071830 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.22 Ų, A1683/0071830 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1683/0071830 has 0 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 A1683/0071830?
The CAS number of A1683/0071830 is 312265-58-0.
What is the molecular formula of A1683/0071830?
The molecular formula of A1683/0071830 is C22H26N4OS.
What is the molecular weight of A1683/0071830?
The molecular weight of A1683/0071830 is 394.18 g/mol.
Where can I buy A1683/0071830?
You can request a quote for A1683/0071830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1683/0071830?
Yes, KEHONG BIO provides custom synthesis services for A1683/0071830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.