AB00908577-05
TL;DR: AB00908577-05 (CAS 898464-72-7) is a chemical compound with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)sulfonylamino]benzoate
Also Known As: AB00908577-05, F2669-0120, methyl 4-{2-oxo-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-triene-7-sulfonamido}benzoate, methyl 4-(3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-sulfonamido)benzoate, methyl 4-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)sulfonylamino]benzoate
| Molecular Formula | C20H20N2O5S |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 2.4994 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.10928 |
| Heavy Atoms | 28 |
| Complexity | 1043.4988 |
Chemical Identifiers
| CAS Number | 898464-72-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C4C(=C2)CCC(=O)N4CCC3 |
Product Overview
AB00908577-05 (CAS 898464-72-7), with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol. IUPAC: methyl 4-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)sulfonylamino]benzoate.
Chemical Property Profile of AB00908577-05
Property Insights of AB00908577-05
The XLogP value of 2.4994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00908577-05. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00908577-05. Following Lipinski's Rule of Five, AB00908577-05 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 AB00908577-05?
The CAS number of AB00908577-05 is 898464-72-7.
What is the molecular formula of AB00908577-05?
The molecular formula of AB00908577-05 is C20H20N2O5S.
What is the molecular weight of AB00908577-05?
The molecular weight of AB00908577-05 is 400.11 g/mol.
Where can I buy AB00908577-05?
You can request a quote for AB00908577-05 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00908577-05?
Yes, KEHONG BIO provides custom synthesis services for AB00908577-05 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.