AB00680591-01
TL;DR: AB00680591-01 (CAS 898462-46-9) is a chemical compound with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
Also Known As: AB00680591-01, F2665-0021, 11-oxo-N-(prop-2-en-1-yl)-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide, N-allyl-4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide, 11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
| Molecular Formula | C14H16N2O3S |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | 0.9862 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.08817 |
| Heavy Atoms | 20 |
| Complexity | 694.6157 |
Chemical Identifiers
| CAS Number | 898462-46-9 |
|---|---|
| SMILES | C=CCNS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2 |
Product Overview
AB00680591-01 (CAS 898462-46-9), with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol. IUPAC: 11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
Chemical Property Profile of AB00680591-01
Property Insights of AB00680591-01
The XLogP value of 0.9862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680591-01. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680591-01. Following Lipinski's Rule of Five, AB00680591-01 has 1 hydrogen bond donor(s) and 3 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 AB00680591-01?
The CAS number of AB00680591-01 is 898462-46-9.
What is the molecular formula of AB00680591-01?
The molecular formula of AB00680591-01 is C14H16N2O3S.
What is the molecular weight of AB00680591-01?
The molecular weight of AB00680591-01 is 292.09 g/mol.
Where can I buy AB00680591-01?
You can request a quote for AB00680591-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680591-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680591-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.