SM 6586
TL;DR: SM 6586 (CAS 103898-38-0) is a chemical compound with molecular formula C26H27N5O5 and molecular weight 489.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[3-[[benzyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: SM 6586, 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(3-((methyl(phenylmethyl)amino)methyl)-1,2,4-oxadiazol-5-yl)-4-(3-nitrophenyl)-, methyl ester, Methyl 1,4-dihydro-2,6-dimethyl-3-(3-N-benzyl-N-methylaminomethyl-1,2,4-oxadiazolyl-5-yl)-4-(3-nitrophenyl)pyridine-5-carboxylate, methyl 5-(3-((benzyl(methyl)amino)methyl)-1,2,4-oxadiazol-5-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, Methyl 5-[3-[[benzyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C26H27N5O5 |
|---|---|
| Molecular Weight | 489.20 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.20123 |
| Heavy Atoms | 36 |
| Complexity | 878.0 |
Chemical Identifiers
| CAS Number | 103898-38-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC(=NO3)CN(C)CC4=CC=CC=C4 |
| InChIKey | HHVCXSOKQHQGFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SM 6586 (CAS 103898-38-0), with molecular formula C26H27N5O5 and molecular weight 489.20 g/mol. IUPAC: methyl 5-[3-[[benzyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of SM 6586
Property Insights of SM 6586
The XLogP value of 3.6 indicates that SM 6586 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for SM 6586. Following Lipinski's Rule of Five, SM 6586 has 1 hydrogen bond donor(s) and 9 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 SM 6586?
The CAS number of SM 6586 is 103898-38-0.
What is the molecular formula of SM 6586?
The molecular formula of SM 6586 is C26H27N5O5.
What is the molecular weight of SM 6586?
The molecular weight of SM 6586 is 489.20 g/mol.
Where can I buy SM 6586?
You can request a quote for SM 6586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SM 6586?
Yes, KEHONG BIO provides custom synthesis services for SM 6586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.