AB00680608-01
TL;DR: AB00680608-01 (CAS 898419-58-4) 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-(1,3-benzodioxol-5-ylmethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
Also Known As: AB00680608-01, F2665-0072, N-[(2H-1,3-benzodioxol-5-yl)methyl]-11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide, {[(2H-1,3-benzodioxol-5-yl)methyl]amino}(oxo)-3-oxo-2a-aza-1,2,4,5-tetrahydro-3H-acenaphthylen-7-yl-lambda-sulfaniumolate
| Molecular Formula | C19H18N2O5S |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 1.7291 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.09363 |
| Heavy Atoms | 27 |
| Complexity | 1064.01 |
Chemical Identifiers
| CAS Number | 898419-58-4 |
|---|---|
| SMILES | C1CC(=O)N2CCC3=CC(=CC1=C32)S(=O)(=O)NCC4=CC5=C(C=C4)OCO5 |
Product Overview
AB00680608-01 (CAS 898419-58-4), with molecular formula C19H18N2O5S and molecular weight 386.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
Chemical Property Profile of AB00680608-01
Property Insights of AB00680608-01
The XLogP value of 1.7291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680608-01. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680608-01. Following Lipinski's Rule of Five, AB00680608-01 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 AB00680608-01?
The CAS number of AB00680608-01 is 898419-58-4.
What is the molecular formula of AB00680608-01?
The molecular formula of AB00680608-01 is C19H18N2O5S.
What is the molecular weight of AB00680608-01?
The molecular weight of AB00680608-01 is 386.09 g/mol.
Where can I buy AB00680608-01?
You can request a quote for AB00680608-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680608-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680608-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.