BAS 00545716
TL;DR: BAS 00545716 (CAS 299450-59-2) is a chemical compound with molecular formula C22H26N2O6 and molecular weight 414.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00545716, 2-methoxyethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-methoxyethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,6,7,8-pentahydroqui noline-3-carboxylate, 2-methoxyethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C22H26N2O6 |
|---|---|
| Molecular Weight | 414.18 g/mol |
| LogP | 3.3884 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.17908 |
| Heavy Atoms | 30 |
| Complexity | 942.8794 |
Chemical Identifiers
| CAS Number | 299450-59-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCCOC |
Product Overview
BAS 00545716 (CAS 299450-59-2), with molecular formula C22H26N2O6 and molecular weight 414.18 g/mol. IUPAC: 2-methoxyethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00545716
Property Insights of BAS 00545716
The XLogP value of 3.3884 indicates that BAS 00545716 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 BAS 00545716. Following Lipinski's Rule of Five, BAS 00545716 has 1 hydrogen bond donor(s) and 7 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 BAS 00545716?
The CAS number of BAS 00545716 is 299450-59-2.
What is the molecular formula of BAS 00545716?
The molecular formula of BAS 00545716 is C22H26N2O6.
What is the molecular weight of BAS 00545716?
The molecular weight of BAS 00545716 is 414.18 g/mol.
Where can I buy BAS 00545716?
You can request a quote for BAS 00545716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00545716?
Yes, KEHONG BIO provides custom synthesis services for BAS 00545716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.