AB00681392-01
TL;DR: AB00681392-01 (CAS 899954-84-8) is a chemical compound with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methoxy-5-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: AB00681392-01, F2749-0209, N-(2-methoxy-5-methylphenyl)-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamide, 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(2-methoxy-5-methylphenyl)propanamide, N-(2-methoxy-5-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
| Molecular Formula | C18H18N2O5S |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 2.17692 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.09363 |
| Heavy Atoms | 26 |
| Complexity | 984.826 |
Chemical Identifiers
| CAS Number | 899954-84-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
AB00681392-01 (CAS 899954-84-8), with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol. IUPAC: N-(2-methoxy-5-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of AB00681392-01
Property Insights of AB00681392-01
The XLogP value of 2.17692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00681392-01. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00681392-01. Following Lipinski's Rule of Five, AB00681392-01 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 AB00681392-01?
The CAS number of AB00681392-01 is 899954-84-8.
What is the molecular formula of AB00681392-01?
The molecular formula of AB00681392-01 is C18H18N2O5S.
What is the molecular weight of AB00681392-01?
The molecular weight of AB00681392-01 is 374.09 g/mol.
Where can I buy AB00681392-01?
You can request a quote for AB00681392-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00681392-01?
Yes, KEHONG BIO provides custom synthesis services for AB00681392-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.