ChemDiv3_005388
TL;DR: ChemDiv3_005388 (CAS 663167-92-8) is a chemical compound with molecular formula C22H18N2O4S and molecular weight 406.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,2-dihydroacenaphthylen-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: ChemDiv3_005388, CBKinase1_003986, CBKinase1_016386, IDI1_023298, N-(1,2-dihydroacenaphthylen-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
| Molecular Formula | C22H18N2O4S |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 3.1117 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.09872 |
| Heavy Atoms | 29 |
| Complexity | 1287.1602 |
Chemical Identifiers
| CAS Number | 663167-92-8 |
|---|---|
| SMILES | C1CC2=CC=C(C3=CC=CC1=C23)NC(=O)CCN4C(=O)C5=CC=CC=C5S4(=O)=O |
Product Overview
ChemDiv3_005388 (CAS 663167-92-8), with molecular formula C22H18N2O4S and molecular weight 406.10 g/mol. IUPAC: N-(1,2-dihydroacenaphthylen-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of ChemDiv3_005388
Property Insights of ChemDiv3_005388
The XLogP value of 3.1117 indicates that ChemDiv3_005388 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005388. Following Lipinski's Rule of Five, ChemDiv3_005388 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 ChemDiv3_005388?
The CAS number of ChemDiv3_005388 is 663167-92-8.
What is the molecular formula of ChemDiv3_005388?
The molecular formula of ChemDiv3_005388 is C22H18N2O4S.
What is the molecular weight of ChemDiv3_005388?
The molecular weight of ChemDiv3_005388 is 406.10 g/mol.
Where can I buy ChemDiv3_005388?
You can request a quote for ChemDiv3_005388 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005388?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005388 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.