AB00680611-01
TL;DR: AB00680611-01 (CAS 898436-12-9) is a chemical compound with molecular formula C18H18N2O3S2 and molecular weight 374.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylsulfanylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
Also Known As: AB00680611-01, F2665-0077, N-(2-(methylthio)phenyl)-4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide, N-[2-(methylsulfanyl)phenyl]-11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide, [o-(methylthio)phenylamino](oxo)-3-oxo-2a-aza-1,2,4,5-tetrahydro-3H-acenaphthylen-7-yl-lambda-sulfaniumolate
| Molecular Formula | C18H18N2O3S2 |
|---|---|
| Molecular Weight | 374.08 g/mol |
| LogP | 3.0446 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.0759 |
| Heavy Atoms | 25 |
| Complexity | 970.2816 |
Chemical Identifiers
| CAS Number | 898436-12-9 |
|---|---|
| SMILES | CSC1=CC=CC=C1NS(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3 |
Product Overview
AB00680611-01 (CAS 898436-12-9), with molecular formula C18H18N2O3S2 and molecular weight 374.08 g/mol. IUPAC: N-(2-methylsulfanylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
Chemical Property Profile of AB00680611-01
Property Insights of AB00680611-01
The XLogP value of 3.0446 indicates that AB00680611-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680611-01. Following Lipinski's Rule of Five, AB00680611-01 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 AB00680611-01?
The CAS number of AB00680611-01 is 898436-12-9.
What is the molecular formula of AB00680611-01?
The molecular formula of AB00680611-01 is C18H18N2O3S2.
What is the molecular weight of AB00680611-01?
The molecular weight of AB00680611-01 is 374.08 g/mol.
Where can I buy AB00680611-01?
You can request a quote for AB00680611-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680611-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680611-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.