AN-989/14669028
TL;DR: AN-989/14669028 (CAS 444058-82-6) is a chemical compound with molecular formula C25H22FN5O2S and molecular weight 475.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-methylbenzamide
Also Known As: AN-989/14669028, N-{4-[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-2-methylbenzamide, N-(4-(5-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)-2-methylbenzamide, N-[4-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-methylbenzamide
| Molecular Formula | C25H22FN5O2S |
|---|---|
| Molecular Weight | 475.15 g/mol |
| LogP | 4.91272 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.14783 |
| Heavy Atoms | 34 |
| Complexity | 1320.1527 |
Chemical Identifiers
| CAS Number | 444058-82-6 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C3=NN=C(N3C)SCC(=O)NC4=CC=C(C=C4)F |
Product Overview
AN-989/14669028 (CAS 444058-82-6), with molecular formula C25H22FN5O2S and molecular weight 475.15 g/mol. IUPAC: N-[4-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-methylbenzamide.
Chemical Property Profile of AN-989/14669028
Property Insights of AN-989/14669028
The XLogP value of 4.91272 indicates that AN-989/14669028 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/14669028. Following Lipinski's Rule of Five, AN-989/14669028 has 2 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 AN-989/14669028?
The CAS number of AN-989/14669028 is 444058-82-6.
What is the molecular formula of AN-989/14669028?
The molecular formula of AN-989/14669028 is C25H22FN5O2S.
What is the molecular weight of AN-989/14669028?
The molecular weight of AN-989/14669028 is 475.15 g/mol.
Where can I buy AN-989/14669028?
You can request a quote for AN-989/14669028 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/14669028?
Yes, KEHONG BIO provides custom synthesis services for AN-989/14669028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.