A3998/0170408
TL;DR: A3998/0170408 (CAS 824971-73-5) is a chemical compound with molecular formula C18H23ClN4OS and molecular weight 378.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-chloro-4-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide
Also Known As: A3998/0170408, 2-[[5-(2-chloro-4-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide, 2-{[5-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexylacetamide, 2-{[5-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-N-cyclohexylacetamide
| Molecular Formula | C18H23ClN4OS |
|---|---|
| Molecular Weight | 378.13 g/mol |
| LogP | 3.98492 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.1281 |
| Heavy Atoms | 25 |
| Complexity | 755.5295 |
Chemical Identifiers
| CAS Number | 824971-73-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3CCCCC3)Cl |
Product Overview
A3998/0170408 (CAS 824971-73-5), with molecular formula C18H23ClN4OS and molecular weight 378.13 g/mol. IUPAC: 2-[[5-(2-chloro-4-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide.
Chemical Property Profile of A3998/0170408
Property Insights of A3998/0170408
The XLogP value of 3.98492 indicates that A3998/0170408 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, A3998/0170408 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3998/0170408 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 A3998/0170408?
The CAS number of A3998/0170408 is 824971-73-5.
What is the molecular formula of A3998/0170408?
The molecular formula of A3998/0170408 is C18H23ClN4OS.
What is the molecular weight of A3998/0170408?
The molecular weight of A3998/0170408 is 378.13 g/mol.
Where can I buy A3998/0170408?
You can request a quote for A3998/0170408 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3998/0170408?
Yes, KEHONG BIO provides custom synthesis services for A3998/0170408 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.