AB00680363-01
TL;DR: AB00680363-01 (CAS 898459-31-9) is a chemical compound with molecular formula C18H20N2O4S2 and molecular weight 392.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-ethylsulfonylbenzamide
Also Known As: AB00680363-01, F2647-0498, N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(ethanesulfonyl)benzamide, N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-3-(ethylsulfonyl)benzamide, N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-ethylsulfonylbenzamide
| Molecular Formula | C18H20N2O4S2 |
|---|---|
| Molecular Weight | 392.09 g/mol |
| LogP | 3.3441 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.08646 |
| Heavy Atoms | 26 |
| Complexity | 990.37006 |
Chemical Identifiers
| CAS Number | 898459-31-9 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C(=O)CC(C3)(C)C |
Product Overview
AB00680363-01 (CAS 898459-31-9), with molecular formula C18H20N2O4S2 and molecular weight 392.09 g/mol. IUPAC: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-ethylsulfonylbenzamide.
Chemical Property Profile of AB00680363-01
Property Insights of AB00680363-01
The XLogP value of 3.3441 indicates that AB00680363-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680363-01. Following Lipinski's Rule of Five, AB00680363-01 has 1 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 AB00680363-01?
The CAS number of AB00680363-01 is 898459-31-9.
What is the molecular formula of AB00680363-01?
The molecular formula of AB00680363-01 is C18H20N2O4S2.
What is the molecular weight of AB00680363-01?
The molecular weight of AB00680363-01 is 392.09 g/mol.
Where can I buy AB00680363-01?
You can request a quote for AB00680363-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680363-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680363-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.