A1761/0074744
TL;DR: A1761/0074744 (CAS 312280-29-8) is a chemical compound with molecular formula C17H24N4OS and molecular weight 332.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-5-(phenoxymethyl)-1,2,4-triazole-3-thione
Also Known As: A1761/0074744, 4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-5-(phenoxymethyl)-1,2,4-triazole-3-thione, 4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-METHYL-1-[(4-METHYLPIPERIDIN-1-YL)METHYL]-3-(PHENOXYMETHYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE, 4-methyl-2-[(4-methyl-1-piperidinyl)methyl]-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C17H24N4OS |
|---|---|
| Molecular Weight | 332.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.16708 |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 312280-29-8 |
|---|---|
| SMILES | CC1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3)C |
| InChIKey | IPIIOMGIHZSYLL-UHFFFAOYSA-N |
Product Overview
A1761/0074744 (CAS 312280-29-8), with molecular formula C17H24N4OS and molecular weight 332.17 g/mol. IUPAC: 4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-5-(phenoxymethyl)-1,2,4-triazole-3-thione.
Chemical Property Profile of A1761/0074744
Property Insights of A1761/0074744
The XLogP value of 3.3 indicates that A1761/0074744 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for A1761/0074744. Following Lipinski's Rule of Five, A1761/0074744 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 A1761/0074744?
The CAS number of A1761/0074744 is 312280-29-8.
What is the molecular formula of A1761/0074744?
The molecular formula of A1761/0074744 is C17H24N4OS.
What is the molecular weight of A1761/0074744?
The molecular weight of A1761/0074744 is 332.17 g/mol.
Where can I buy A1761/0074744?
You can request a quote for A1761/0074744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1761/0074744?
Yes, KEHONG BIO provides custom synthesis services for A1761/0074744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.