AN-648/41701166
TL;DR: AN-648/41701166 (CAS 663168-64-7) is a chemical compound with molecular formula C27H21N3O4S and molecular weight 483.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(N-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylanilino)methyl]phenyl] pyridine-3-carboxylate
Also Known As: AN-648/41701166, 2-{[(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-methylanilino]methyl}phenyl nicotinate, [2-[(N-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylanilino)methyl]phenyl] pyridine-3-carboxylate, 2-(((1,1-dioxidobenzo[d]isothiazol-3-yl)(p-tolyl)amino)methyl)phenyl nicotinate, 2-{[(1,1-dioxido-1,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}phenyl pyridine-3-carboxylate
| Molecular Formula | C27H21N3O4S |
|---|---|
| Molecular Weight | 483.13 g/mol |
| LogP | 4.76492 |
| Topological Polar Surface Area | 88.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.12527 |
| Heavy Atoms | 35 |
| Complexity | 1532.467 |
Chemical Identifiers
| CAS Number | 663168-64-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(CC2=CC=CC=C2OC(=O)C3=CN=CC=C3)C4=NS(=O)(=O)C5=CC=CC=C54 |
Product Overview
AN-648/41701166 (CAS 663168-64-7), with molecular formula C27H21N3O4S and molecular weight 483.13 g/mol. IUPAC: [2-[(N-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylanilino)methyl]phenyl] pyridine-3-carboxylate.
Chemical Property Profile of AN-648/41701166
Property Insights of AN-648/41701166
The XLogP value of 4.76492 indicates that AN-648/41701166 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.93 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/41701166. Following Lipinski's Rule of Five, AN-648/41701166 has 0 hydrogen bond donor(s) and 6 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-648/41701166?
The CAS number of AN-648/41701166 is 663168-64-7.
What is the molecular formula of AN-648/41701166?
The molecular formula of AN-648/41701166 is C27H21N3O4S.
What is the molecular weight of AN-648/41701166?
The molecular weight of AN-648/41701166 is 483.13 g/mol.
Where can I buy AN-648/41701166?
You can request a quote for AN-648/41701166 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/41701166?
Yes, KEHONG BIO provides custom synthesis services for AN-648/41701166 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.