BAS 00545699
TL;DR: BAS 00545699 (CAS 299452-70-3) is a chemical compound with molecular formula C20H22N2O6 and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00545699, BIM-0025738.P001, 2-methoxyethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-methoxyethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,6,7,8-pentahydroquinoline- 3-carboxylate, 2-methoxyethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C20H22N2O6 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | 2.7523 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.1478 |
| Heavy Atoms | 28 |
| Complexity | 869.187 |
Chemical Identifiers
| CAS Number | 299452-70-3 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCCOC |
Product Overview
BAS 00545699 (CAS 299452-70-3), with molecular formula C20H22N2O6 and molecular weight 386.15 g/mol. IUPAC: 2-methoxyethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00545699
Property Insights of BAS 00545699
The XLogP value of 2.7523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00545699. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00545699. Following Lipinski's Rule of Five, BAS 00545699 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 00545699?
The CAS number of BAS 00545699 is 299452-70-3.
What is the molecular formula of BAS 00545699?
The molecular formula of BAS 00545699 is C20H22N2O6.
What is the molecular weight of BAS 00545699?
The molecular weight of BAS 00545699 is 386.15 g/mol.
Where can I buy BAS 00545699?
You can request a quote for BAS 00545699 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00545699?
Yes, KEHONG BIO provides custom synthesis services for BAS 00545699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.