AB00122048-01
TL;DR: AB00122048-01 (CAS 433247-80-4) is a chemical compound with molecular formula C26H28N2O6S and molecular weight 496.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yloxyethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: AB00122048-01, A3014/0127022, 2-(1-Methylethoxy)ethyl 1,4,5,6,7,8-hexahydro-2-methyl-4-(4-nitrophenyl)-5-oxo-7-(2-thienyl)-3-quinolinecarboxylate, 2-(propan-2-yloxy)ethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-propan-2-yloxyethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C26H28N2O6S |
|---|---|
| Molecular Weight | 496.17 g/mol |
| LogP | 4.9861 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.1668 |
| Heavy Atoms | 35 |
| Complexity | 1180.9341 |
Chemical Identifiers
| CAS Number | 433247-80-4 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCCOC(C)C |
Product Overview
AB00122048-01 (CAS 433247-80-4), with molecular formula C26H28N2O6S and molecular weight 496.17 g/mol. IUPAC: 2-propan-2-yloxyethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of AB00122048-01
Property Insights of AB00122048-01
The XLogP value of 4.9861 indicates that AB00122048-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00122048-01. Following Lipinski's Rule of Five, AB00122048-01 has 1 hydrogen bond donor(s) and 8 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 AB00122048-01?
The CAS number of AB00122048-01 is 433247-80-4.
What is the molecular formula of AB00122048-01?
The molecular formula of AB00122048-01 is C26H28N2O6S.
What is the molecular weight of AB00122048-01?
The molecular weight of AB00122048-01 is 496.17 g/mol.
Where can I buy AB00122048-01?
You can request a quote for AB00122048-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00122048-01?
Yes, KEHONG BIO provides custom synthesis services for AB00122048-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.