AP-853/41872933
TL;DR: AP-853/41872933 (CAS 663167-80-4) is a chemical compound with molecular formula C20H21N3O5S and molecular weight 415.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[3-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]phenyl]propanamide
Also Known As: AP-853/41872933, N-(3-{[3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)propanoyl]amino}phenyl)-2-methylpropanamide, 2-methyl-N-[3-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]phenyl]propanamide, N-(3-{[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)propanoyl]amino}phenyl)-2-methylpropanamide
| Molecular Formula | C20H21N3O5S |
|---|---|
| Molecular Weight | 415.12 g/mol |
| LogP | 2.4544 |
| Topological Polar Surface Area | 112.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.12018 |
| Heavy Atoms | 29 |
| Complexity | 1079.0292 |
Chemical Identifiers
| CAS Number | 663167-80-4 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
AP-853/41872933 (CAS 663167-80-4), with molecular formula C20H21N3O5S and molecular weight 415.12 g/mol. IUPAC: 2-methyl-N-[3-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]phenyl]propanamide.
Chemical Property Profile of AP-853/41872933
Property Insights of AP-853/41872933
The XLogP value of 2.4544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-853/41872933. The TPSA of 112.65 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/41872933. Following Lipinski's Rule of Five, AP-853/41872933 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 AP-853/41872933?
The CAS number of AP-853/41872933 is 663167-80-4.
What is the molecular formula of AP-853/41872933?
The molecular formula of AP-853/41872933 is C20H21N3O5S.
What is the molecular weight of AP-853/41872933?
The molecular weight of AP-853/41872933 is 415.12 g/mol.
Where can I buy AP-853/41872933?
You can request a quote for AP-853/41872933 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/41872933?
Yes, KEHONG BIO provides custom synthesis services for AP-853/41872933 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.