AN-989/42063881
TL;DR: AN-989/42063881 (CAS 428462-56-0) is a chemical compound with molecular formula C18H20ClFN2O3S2 and molecular weight 430.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
Also Known As: AN-989/42063881, N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide, N-{2-[(3-chlorobenzyl)sulfanyl]ethyl}-2-[4-fluoro(methylsulfonyl)anilino]acetamide, N-{2-[(3-chlorobenzyl)sulfanyl]ethyl}-N~2~-(4-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide
| Molecular Formula | C18H20ClFN2O3S2 |
|---|---|
| Molecular Weight | 430.06 g/mol |
| LogP | 3.2947 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 430.05878 |
| Heavy Atoms | 27 |
| Complexity | 876.4304 |
Chemical Identifiers
| CAS Number | 428462-56-0 |
|---|---|
| SMILES | CS(=O)(=O)N(CC(=O)NCCSCC1=CC(=CC=C1)Cl)C2=CC=C(C=C2)F |
Product Overview
AN-989/42063881 (CAS 428462-56-0), with molecular formula C18H20ClFN2O3S2 and molecular weight 430.06 g/mol. IUPAC: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide.
Chemical Property Profile of AN-989/42063881
Property Insights of AN-989/42063881
The XLogP value of 3.2947 indicates that AN-989/42063881 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/42063881. Following Lipinski's Rule of Five, AN-989/42063881 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 AN-989/42063881?
The CAS number of AN-989/42063881 is 428462-56-0.
What is the molecular formula of AN-989/42063881?
The molecular formula of AN-989/42063881 is C18H20ClFN2O3S2.
What is the molecular weight of AN-989/42063881?
The molecular weight of AN-989/42063881 is 430.06 g/mol.
Where can I buy AN-989/42063881?
You can request a quote for AN-989/42063881 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/42063881?
Yes, KEHONG BIO provides custom synthesis services for AN-989/42063881 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.