BAS 10225472
TL;DR: BAS 10225472 (CAS 876720-85-3) is a chemical compound with molecular formula C17H20F3N5O2S and molecular weight 415.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: BAS 10225472, 2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-(4-Methyl-5-morpholin-4-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(3-trifluoromethyl-phenyl)-acetamide
| Molecular Formula | C17H20F3N5O2S |
|---|---|
| Molecular Weight | 415.13 g/mol |
| LogP | 2.3969 |
| Topological Polar Surface Area | 72.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.12897 |
| Heavy Atoms | 28 |
| Complexity | 821.36444 |
Chemical Identifiers
| CAS Number | 876720-85-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)CN3CCOCC3 |
Product Overview
BAS 10225472 (CAS 876720-85-3), with molecular formula C17H20F3N5O2S and molecular weight 415.13 g/mol. IUPAC: 2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of BAS 10225472
Property Insights of BAS 10225472
The XLogP value of 2.3969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 10225472. The TPSA of 72.28 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10225472. Following Lipinski's Rule of Five, BAS 10225472 has 1 hydrogen bond donor(s) and 6 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 10225472?
The CAS number of BAS 10225472 is 876720-85-3.
What is the molecular formula of BAS 10225472?
The molecular formula of BAS 10225472 is C17H20F3N5O2S.
What is the molecular weight of BAS 10225472?
The molecular weight of BAS 10225472 is 415.13 g/mol.
Where can I buy BAS 10225472?
You can request a quote for BAS 10225472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10225472?
Yes, KEHONG BIO provides custom synthesis services for BAS 10225472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.