AB00680599-01
TL;DR: AB00680599-01 (CAS 898462-56-1) is a chemical compound with molecular formula C18H17FN2O3S and molecular weight 360.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-fluorophenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
Also Known As: AB00680599-01, BRD-K86126060-001-06-9, G401-0096, F2665-0051, N-(4-fluorobenzyl)-4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
| Molecular Formula | C18H17FN2O3S |
|---|---|
| Molecular Weight | 360.09 g/mol |
| LogP | 2.1395 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.0944 |
| Heavy Atoms | 25 |
| Complexity | 955.0316 |
Chemical Identifiers
| CAS Number | 898462-56-1 |
|---|---|
| SMILES | C1CC(=O)N2CCC3=CC(=CC1=C32)S(=O)(=O)NCC4=CC=C(C=C4)F |
Product Overview
AB00680599-01 (CAS 898462-56-1), with molecular formula C18H17FN2O3S and molecular weight 360.09 g/mol. IUPAC: N-[(4-fluorophenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
Chemical Property Profile of AB00680599-01
Property Insights of AB00680599-01
The XLogP value of 2.1395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680599-01. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680599-01. Following Lipinski's Rule of Five, AB00680599-01 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 AB00680599-01?
The CAS number of AB00680599-01 is 898462-56-1.
What is the molecular formula of AB00680599-01?
The molecular formula of AB00680599-01 is C18H17FN2O3S.
What is the molecular weight of AB00680599-01?
The molecular weight of AB00680599-01 is 360.09 g/mol.
Where can I buy AB00680599-01?
You can request a quote for AB00680599-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680599-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680599-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.