BAS 02169531
TL;DR: BAS 02169531 (CAS 5712-01-6) is a chemical compound with molecular formula C32H28N2O7 and molecular weight 552.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 02169531, 2-phenylethyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-Phenylethyl 2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenylethyl 2-methyl-4-(6-nitro(2H-benzo[d]1,3-dioxolan-5-yl))-5-oxo-7-pheny l-1,4,6,7,8-pentahydroquinoline-3-carboxylate, 2-phenylethyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C32H28N2O7 |
|---|---|
| Molecular Weight | 552.19 g/mol |
| LogP | 5.471 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 552.18964 |
| Heavy Atoms | 41 |
| Complexity | 1594.9777 |
Chemical Identifiers
| CAS Number | 5712-01-6 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4[N+](=O)[O-])OCO5)C(=O)OCCC6=CC=CC=C6 |
Product Overview
BAS 02169531 (CAS 5712-01-6), with molecular formula C32H28N2O7 and molecular weight 552.19 g/mol. IUPAC: 2-phenylethyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 02169531
Property Insights of BAS 02169531
The XLogP value of 5.471 indicates that BAS 02169531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02169531. Following Lipinski's Rule of Five, BAS 02169531 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02169531?
The CAS number of BAS 02169531 is 5712-01-6.
What is the molecular formula of BAS 02169531?
The molecular formula of BAS 02169531 is C32H28N2O7.
What is the molecular weight of BAS 02169531?
The molecular weight of BAS 02169531 is 552.19 g/mol.
Where can I buy BAS 02169531?
You can request a quote for BAS 02169531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02169531?
Yes, KEHONG BIO provides custom synthesis services for BAS 02169531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.