ACE040
TL;DR: ACE040 (CAS 28291-62-5) is a chemical compound with molecular formula C21H18F3N3O3S and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-pyridin-3-ylacetamide
Also Known As: ACE040, 2-(4-methyl-N-(3-(trifluoromethyl)phenyl)phenylsulfonamido)-N-(pyridin-3-yl)acetamide, 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-pyridin-3-ylacetamide, 2-[[(4-methylphenyl)sulfonyl][3-(trifluoromethyl)phenyl]amino]-n-3-pyridinyl-acetamide, 10,11-Dihydro-5-methyl-5H-dibenz[b,f]azepin-10-ol
| Molecular Formula | C21H18F3N3O3S |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 4.24282 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.1021 |
| Heavy Atoms | 31 |
| Complexity | 1165.7244 |
Chemical Identifiers
| CAS Number | 28291-62-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CN=CC=C2)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
ACE040 (CAS 28291-62-5), with molecular formula C21H18F3N3O3S and molecular weight 449.10 g/mol. IUPAC: 2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-pyridin-3-ylacetamide.
Chemical Property Profile of ACE040
Property Insights of ACE040
The XLogP value of 4.24282 indicates that ACE040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ACE040. Following Lipinski's Rule of Five, ACE040 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 ACE040?
The CAS number of ACE040 is 28291-62-5.
What is the molecular formula of ACE040?
The molecular formula of ACE040 is C21H18F3N3O3S.
What is the molecular weight of ACE040?
The molecular weight of ACE040 is 449.10 g/mol.
Where can I buy ACE040?
You can request a quote for ACE040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ACE040?
Yes, KEHONG BIO provides custom synthesis services for ACE040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.