AN-989/42063994
TL;DR: AN-989/42063994 (CAS 428496-73-5) is a chemical compound with molecular formula C18H21ClN2O5S and molecular weight 412.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
Also Known As: AN-989/42063994, 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide, 2-[3-chloro-4-methoxy(methylsulfonyl)anilino]-N-(4-methoxybenzyl)acetamide, N~2~-(3-chloro-4-methoxyphenyl)-N-(4-methoxybenzyl)-N~2~-(methylsulfonyl)glycinamide
| Molecular Formula | C18H21ClN2O5S |
|---|---|
| Molecular Weight | 412.09 g/mol |
| LogP | 2.4396 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.08597 |
| Heavy Atoms | 27 |
| Complexity | 900.468 |
Chemical Identifiers
| CAS Number | 428496-73-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)CN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C |
Product Overview
AN-989/42063994 (CAS 428496-73-5), with molecular formula C18H21ClN2O5S and molecular weight 412.09 g/mol. IUPAC: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide.
Chemical Property Profile of AN-989/42063994
Property Insights of AN-989/42063994
The XLogP value of 2.4396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-989/42063994. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/42063994. Following Lipinski's Rule of Five, AN-989/42063994 has 1 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-989/42063994?
The CAS number of AN-989/42063994 is 428496-73-5.
What is the molecular formula of AN-989/42063994?
The molecular formula of AN-989/42063994 is C18H21ClN2O5S.
What is the molecular weight of AN-989/42063994?
The molecular weight of AN-989/42063994 is 412.09 g/mol.
Where can I buy AN-989/42063994?
You can request a quote for AN-989/42063994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/42063994?
Yes, KEHONG BIO provides custom synthesis services for AN-989/42063994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.