ChemDiv1_002352
TL;DR: ChemDiv1_002352 (CAS 329072-81-3) is a chemical compound with molecular formula C28H28N2O8 and molecular weight 520.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv1_002352, 4-methoxybenzyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, (4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(6-nitro(2H-benzo[d]1,3-dioxolan-5-y l))-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate, (4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, (4-METHOXYPHENYL)METHYL 2,7,7-TRIMETHYL-4-(6-NITRO-2H-1,3-BENZODIOXOL-5-YL)-5-OXO-1,4,6,8-TETRAHYDROQUINOLINE-3-CARBOXYLATE
| Molecular Formula | C28H28N2O8 |
|---|---|
| Molecular Weight | 520.18 g/mol |
| LogP | 4.6795 |
| Topological Polar Surface Area | 126.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.1846 |
| Heavy Atoms | 38 |
| Complexity | 1404.6771 |
Chemical Identifiers
| CAS Number | 329072-81-3 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)OCC5=CC=C(C=C5)OC |
Product Overview
ChemDiv1_002352 (CAS 329072-81-3), with molecular formula C28H28N2O8 and molecular weight 520.18 g/mol. IUPAC: (4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002352
Property Insights of ChemDiv1_002352
The XLogP value of 4.6795 indicates that ChemDiv1_002352 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002352. Following Lipinski's Rule of Five, ChemDiv1_002352 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002352?
The CAS number of ChemDiv1_002352 is 329072-81-3.
What is the molecular formula of ChemDiv1_002352?
The molecular formula of ChemDiv1_002352 is C28H28N2O8.
What is the molecular weight of ChemDiv1_002352?
The molecular weight of ChemDiv1_002352 is 520.18 g/mol.
Where can I buy ChemDiv1_002352?
You can request a quote for ChemDiv1_002352 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002352?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002352 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.