AB00680547-01
TL;DR: AB00680547-01 (CAS 898435-41-1) is a chemical compound with molecular formula C17H15N3O5S and molecular weight 373.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
Also Known As: AB00680547-01, F2664-0083, 4-nitro-N-{11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}benzene-1-sulfonamide, 4-nitro-N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide, 4-nitro-N-(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide
| Molecular Formula | C17H15N3O5S |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 2.2309 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.07324 |
| Heavy Atoms | 26 |
| Complexity | 1031.109 |
Chemical Identifiers
| CAS Number | 898435-41-1 |
|---|---|
| SMILES | C1CC(=O)N2CCC3=CC(=CC1=C32)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
AB00680547-01 (CAS 898435-41-1), with molecular formula C17H15N3O5S and molecular weight 373.07 g/mol. IUPAC: 4-nitro-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide.
Chemical Property Profile of AB00680547-01
Property Insights of AB00680547-01
The XLogP value of 2.2309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680547-01. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680547-01. Following Lipinski's Rule of Five, AB00680547-01 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 AB00680547-01?
The CAS number of AB00680547-01 is 898435-41-1.
What is the molecular formula of AB00680547-01?
The molecular formula of AB00680547-01 is C17H15N3O5S.
What is the molecular weight of AB00680547-01?
The molecular weight of AB00680547-01 is 373.07 g/mol.
Where can I buy AB00680547-01?
You can request a quote for AB00680547-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680547-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680547-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.