RefChem:1066032
TL;DR: RefChem:1066032 (CAS 50698-13-0) is a chemical compound with molecular formula C20H24N2O6 and molecular weight 388.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-methyl 5-O-propan-2-yl 1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
Also Known As: Pentafluoraethylthiocarbonylfluorid, Isopropyl methyl 1,2,6-trimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-nitrophenyl)-1,2,6-trimethyl-, methyl 1-methylethyl ester, 3-O-methyl 5-O-propan-2-yl 1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate, Methyl propan-2-yl 1,2,6-trimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C20H24N2O6 |
|---|---|
| Molecular Weight | 388.16 g/mol |
| LogP | 3.2964 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.16342 |
| Heavy Atoms | 28 |
| Complexity | 884.437 |
Chemical Identifiers
| CAS Number | 50698-13-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1C)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
RefChem:1066032 (CAS 50698-13-0), with molecular formula C20H24N2O6 and molecular weight 388.16 g/mol. IUPAC: 3-O-methyl 5-O-propan-2-yl 1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of RefChem:1066032
Property Insights of RefChem:1066032
The XLogP value of 3.2964 indicates that RefChem:1066032 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1066032. Following Lipinski's Rule of Five, RefChem:1066032 has 0 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 RefChem:1066032?
The CAS number of RefChem:1066032 is 50698-13-0.
What is the molecular formula of RefChem:1066032?
The molecular formula of RefChem:1066032 is C20H24N2O6.
What is the molecular weight of RefChem:1066032?
The molecular weight of RefChem:1066032 is 388.16 g/mol.
Where can I buy RefChem:1066032?
You can request a quote for RefChem:1066032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066032?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.