ChemDiv1_000994
TL;DR: ChemDiv1_000994 (CAS 331840-47-2) is a chemical compound with molecular formula C28H30N2O7 and molecular weight 506.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(4,5-dimethoxy-2-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_000994, BAS 00619625, isopropyl 4-{2-nitro-4,5-dimethoxyphenyl}-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, propan-2-yl 4-(4,5-dimethoxy-2-nitrophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, propan-2-yl 4-(4,5-dimethoxy-2-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C28H30N2O7 |
|---|---|
| Molecular Weight | 506.21 g/mol |
| LogP | 4.9252 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.2053 |
| Heavy Atoms | 37 |
| Complexity | 1311.3108 |
Chemical Identifiers
| CAS Number | 331840-47-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4[N+](=O)[O-])OC)OC)C(=O)OC(C)C |
Product Overview
ChemDiv1_000994 (CAS 331840-47-2), with molecular formula C28H30N2O7 and molecular weight 506.21 g/mol. IUPAC: propan-2-yl 4-(4,5-dimethoxy-2-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_000994
Property Insights of ChemDiv1_000994
The XLogP value of 4.9252 indicates that ChemDiv1_000994 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 ChemDiv1_000994. Following Lipinski's Rule of Five, ChemDiv1_000994 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 ChemDiv1_000994?
The CAS number of ChemDiv1_000994 is 331840-47-2.
What is the molecular formula of ChemDiv1_000994?
The molecular formula of ChemDiv1_000994 is C28H30N2O7.
What is the molecular weight of ChemDiv1_000994?
The molecular weight of ChemDiv1_000994 is 506.21 g/mol.
Where can I buy ChemDiv1_000994?
You can request a quote for ChemDiv1_000994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000994?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.