AN-584/43493891
TL;DR: AN-584/43493891 (CAS 831251-47-9) is a chemical compound with molecular formula C22H21FN6O4S and molecular weight 484.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[[5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: AN-584/43493891, 2-fluoro-N-[[5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide, N-[(4-allyl-5-{[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-fluorobenzamide
| Molecular Formula | C22H21FN6O4S |
|---|---|
| Molecular Weight | 484.13 g/mol |
| LogP | 3.48062 |
| Topological Polar Surface Area | 132.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 484.1329 |
| Heavy Atoms | 34 |
| Complexity | 1245.8828 |
Chemical Identifiers
| CAS Number | 831251-47-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3F)[N+](=O)[O-] |
Product Overview
AN-584/43493891 (CAS 831251-47-9), with molecular formula C22H21FN6O4S and molecular weight 484.13 g/mol. IUPAC: 2-fluoro-N-[[5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of AN-584/43493891
Property Insights of AN-584/43493891
The XLogP value of 3.48062 indicates that AN-584/43493891 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.05 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-584/43493891. Following Lipinski's Rule of Five, AN-584/43493891 has 2 hydrogen bond donor(s) and 7 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-584/43493891?
The CAS number of AN-584/43493891 is 831251-47-9.
What is the molecular formula of AN-584/43493891?
The molecular formula of AN-584/43493891 is C22H21FN6O4S.
What is the molecular weight of AN-584/43493891?
The molecular weight of AN-584/43493891 is 484.13 g/mol.
Where can I buy AN-584/43493891?
You can request a quote for AN-584/43493891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-584/43493891?
Yes, KEHONG BIO provides custom synthesis services for AN-584/43493891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.