AB00680553-01
TL;DR: AB00680553-01 (CAS 903274-33-9) is a chemical compound with molecular formula C19H18N2O5S and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Also Known As: AB00680553-01, F2664-0091, N-{11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide, N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide, N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
| Molecular Formula | C19H18N2O5S |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 2.0939 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.09363 |
| Heavy Atoms | 27 |
| Complexity | 1064.01 |
Chemical Identifiers
| CAS Number | 903274-33-9 |
|---|---|
| SMILES | C1CC(=O)N2CCC3=CC(=CC1=C32)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5 |
Product Overview
AB00680553-01 (CAS 903274-33-9), with molecular formula C19H18N2O5S and molecular weight 386.09 g/mol. IUPAC: N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
Chemical Property Profile of AB00680553-01
Property Insights of AB00680553-01
The XLogP value of 2.0939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680553-01. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680553-01. Following Lipinski's Rule of Five, AB00680553-01 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 AB00680553-01?
The CAS number of AB00680553-01 is 903274-33-9.
What is the molecular formula of AB00680553-01?
The molecular formula of AB00680553-01 is C19H18N2O5S.
What is the molecular weight of AB00680553-01?
The molecular weight of AB00680553-01 is 386.09 g/mol.
Where can I buy AB00680553-01?
You can request a quote for AB00680553-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680553-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680553-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.