RefChem:1082790
TL;DR: RefChem:1082790 (CAS 86781-08-0) is a chemical compound with molecular formula C21H24N2O6 and molecular weight 400.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-(cyclopropylmethyl) 3-O-ethyl 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)-, cyclopropylmethyl ethyl ester, Cyclopropylmethyl Ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(cyclopropylmethyl)5-ethyl ester, 5-O-(cyclopropylmethyl) 3-O-ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, RefChem:1082790
| Molecular Formula | C21H24N2O6 |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | 3.3459 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.16342 |
| Heavy Atoms | 29 |
| Complexity | 913.50134 |
Chemical Identifiers
| CAS Number | 86781-08-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC3CC3)C)C |
Product Overview
RefChem:1082790 (CAS 86781-08-0), with molecular formula C21H24N2O6 and molecular weight 400.16 g/mol. IUPAC: 5-O-(cyclopropylmethyl) 3-O-ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of RefChem:1082790
Property Insights of RefChem:1082790
The XLogP value of 3.3459 indicates that RefChem:1082790 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:1082790. Following Lipinski's Rule of Five, RefChem:1082790 has 1 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:1082790?
The CAS number of RefChem:1082790 is 86781-08-0.
What is the molecular formula of RefChem:1082790?
The molecular formula of RefChem:1082790 is C21H24N2O6.
What is the molecular weight of RefChem:1082790?
The molecular weight of RefChem:1082790 is 400.16 g/mol.
Where can I buy RefChem:1082790?
You can request a quote for RefChem:1082790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082790?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.