RefChem:1066021
TL;DR: RefChem:1066021 (CAS 102106-19-4) is a chemical compound with molecular formula C30H28N2O6 and molecular weight 512.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-methyl 5-O-[(E)-4-naphthalen-2-ylbut-3-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 4-(2-naphthalenyl)-3-butenyl ester, (E)-, 3-O-methyl 5-O-[(E)-4-naphthalen-2-ylbut-3-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, RefChem:1066021
| Molecular Formula | C30H28N2O6 |
|---|---|
| Molecular Weight | 512.19 g/mol |
| LogP | 5.8025 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.19476 |
| Heavy Atoms | 38 |
| Complexity | 1501.3738 |
Chemical Identifiers
| CAS Number | 102106-19-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC/C=C/C2=CC3=CC=CC=C3C=C2)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC |
Product Overview
RefChem:1066021 (CAS 102106-19-4), with molecular formula C30H28N2O6 and molecular weight 512.19 g/mol. IUPAC: 3-O-methyl 5-O-[(E)-4-naphthalen-2-ylbut-3-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of RefChem:1066021
Property Insights of RefChem:1066021
The XLogP value of 5.8025 indicates that RefChem:1066021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1066021. Following Lipinski's Rule of Five, RefChem:1066021 has 1 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 RefChem:1066021?
The CAS number of RefChem:1066021 is 102106-19-4.
What is the molecular formula of RefChem:1066021?
The molecular formula of RefChem:1066021 is C30H28N2O6.
What is the molecular weight of RefChem:1066021?
The molecular weight of RefChem:1066021 is 512.19 g/mol.
Where can I buy RefChem:1066021?
You can request a quote for RefChem:1066021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066021?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.