AB00680587-01
TL;DR: AB00680587-01 (CAS 898419-39-1) is a chemical compound with molecular formula C19H20N2O3S and molecular weight 356.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
Also Known As: AB00680587-01, BRD-K65035519-001-07-2, F2665-0014, N-[(4-methylphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide, N-(4-methylbenzyl)-4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
| Molecular Formula | C19H20N2O3S |
|---|---|
| Molecular Weight | 356.12 g/mol |
| LogP | 2.30882 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.11948 |
| Heavy Atoms | 25 |
| Complexity | 949.37964 |
Chemical Identifiers
| CAS Number | 898419-39-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3 |
Product Overview
AB00680587-01 (CAS 898419-39-1), with molecular formula C19H20N2O3S and molecular weight 356.12 g/mol. IUPAC: N-[(4-methylphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
Chemical Property Profile of AB00680587-01
Property Insights of AB00680587-01
The XLogP value of 2.30882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680587-01. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680587-01. Following Lipinski's Rule of Five, AB00680587-01 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 AB00680587-01?
The CAS number of AB00680587-01 is 898419-39-1.
What is the molecular formula of AB00680587-01?
The molecular formula of AB00680587-01 is C19H20N2O3S.
What is the molecular weight of AB00680587-01?
The molecular weight of AB00680587-01 is 356.12 g/mol.
Where can I buy AB00680587-01?
You can request a quote for AB00680587-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680587-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680587-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.