BAS 03221806
TL;DR: BAS 03221806 (CAS 335224-46-9) is a chemical compound with molecular formula C22H25N5OS and molecular weight 407.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Also Known As: BAS 03221806, 2-((4-cyclohexyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide, 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide, 2-{[4-cyclohexyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
| Molecular Formula | C22H25N5OS |
|---|---|
| Molecular Weight | 407.18 g/mol |
| LogP | 4.88452 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.17798 |
| Heavy Atoms | 29 |
| Complexity | 949.0938 |
Chemical Identifiers
| CAS Number | 335224-46-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=NC=C4 |
Product Overview
BAS 03221806 (CAS 335224-46-9), with molecular formula C22H25N5OS and molecular weight 407.18 g/mol. IUPAC: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of BAS 03221806
Property Insights of BAS 03221806
The XLogP value of 4.88452 indicates that BAS 03221806 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03221806. Following Lipinski's Rule of Five, BAS 03221806 has 1 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 BAS 03221806?
The CAS number of BAS 03221806 is 335224-46-9.
What is the molecular formula of BAS 03221806?
The molecular formula of BAS 03221806 is C22H25N5OS.
What is the molecular weight of BAS 03221806?
The molecular weight of BAS 03221806 is 407.18 g/mol.
Where can I buy BAS 03221806?
You can request a quote for BAS 03221806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03221806?
Yes, KEHONG BIO provides custom synthesis services for BAS 03221806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.