ChemDiv1_006220
TL;DR: ChemDiv1_006220 (CAS 297159-40-1) is a chemical compound with molecular formula C30H26N2O6 and molecular weight 510.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_006220, MixCom6_002455, 3-Quinuclidinol hydrochloride, BIM-0047562.P001, 5-AMINO-1H-BENZOIMIDAZOLE-2-CARBOXYLICACIDHCL
| Molecular Formula | C30H26N2O6 |
|---|---|
| Molecular Weight | 510.18 g/mol |
| LogP | 5.4054 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.17908 |
| Heavy Atoms | 38 |
| Complexity | 1477.0925 |
Chemical Identifiers
| CAS Number | 297159-40-1 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)OCC5=CC=CC=C5 |
Product Overview
ChemDiv1_006220 (CAS 297159-40-1), with molecular formula C30H26N2O6 and molecular weight 510.18 g/mol. IUPAC: benzyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_006220
Property Insights of ChemDiv1_006220
The XLogP value of 5.4054 indicates that ChemDiv1_006220 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006220. Following Lipinski's Rule of Five, ChemDiv1_006220 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_006220?
The CAS number of ChemDiv1_006220 is 297159-40-1.
What is the molecular formula of ChemDiv1_006220?
The molecular formula of ChemDiv1_006220 is C30H26N2O6.
What is the molecular weight of ChemDiv1_006220?
The molecular weight of ChemDiv1_006220 is 510.18 g/mol.
Where can I buy ChemDiv1_006220?
You can request a quote for ChemDiv1_006220 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006220?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006220 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.