AB00680597-01
TL;DR: AB00680597-01 (CAS 898419-49-3) is a chemical compound with molecular formula C21H24N2O3S and molecular weight 384.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
Also Known As: AB00680597-01, F2665-0041, N-butyl-11-oxo-N-phenyl-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide, N-butyl-4-oxo-N-phenyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide, N-butyl-11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
| Molecular Formula | C21H24N2O3S |
|---|---|
| Molecular Weight | 384.15 g/mol |
| LogP | 3.5173 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.15076 |
| Heavy Atoms | 27 |
| Complexity | 970.42126 |
Chemical Identifiers
| CAS Number | 898419-49-3 |
|---|---|
| SMILES | CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3 |
Product Overview
AB00680597-01 (CAS 898419-49-3), with molecular formula C21H24N2O3S and molecular weight 384.15 g/mol. IUPAC: N-butyl-11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
Chemical Property Profile of AB00680597-01
Property Insights of AB00680597-01
The XLogP value of 3.5173 indicates that AB00680597-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, AB00680597-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00680597-01 has 0 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 AB00680597-01?
The CAS number of AB00680597-01 is 898419-49-3.
What is the molecular formula of AB00680597-01?
The molecular formula of AB00680597-01 is C21H24N2O3S.
What is the molecular weight of AB00680597-01?
The molecular weight of AB00680597-01 is 384.15 g/mol.
Where can I buy AB00680597-01?
You can request a quote for AB00680597-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680597-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680597-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.