AB00680628-01
TL;DR: AB00680628-01 (CAS 898419-72-2) is a chemical compound with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
Also Known As: AB00680628-01, F2665-0118, N-[(furan-2-yl)methyl]-11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide, N-(furan-2-ylmethyl)-4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide, N-(furan-2-ylmethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
| Molecular Formula | C16H16N2O4S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 1.5934 |
| Topological Polar Surface Area | 79.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.08307 |
| Heavy Atoms | 23 |
| Complexity | 871.7352 |
Chemical Identifiers
| CAS Number | 898419-72-2 |
|---|---|
| SMILES | C1CC(=O)N2CCC3=CC(=CC1=C32)S(=O)(=O)NCC4=CC=CO4 |
Product Overview
AB00680628-01 (CAS 898419-72-2), with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol. IUPAC: N-(furan-2-ylmethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
Chemical Property Profile of AB00680628-01
Property Insights of AB00680628-01
The XLogP value of 1.5934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680628-01. The TPSA of 79.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680628-01. Following Lipinski's Rule of Five, AB00680628-01 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 AB00680628-01?
The CAS number of AB00680628-01 is 898419-72-2.
What is the molecular formula of AB00680628-01?
The molecular formula of AB00680628-01 is C16H16N2O4S.
What is the molecular weight of AB00680628-01?
The molecular weight of AB00680628-01 is 332.08 g/mol.
Where can I buy AB00680628-01?
You can request a quote for AB00680628-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680628-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680628-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.