D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate)
TL;DR: D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate) (CAS 133908-64-2) is a chemical compound with molecular formula C22H24N2O9 and molecular weight 460.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate), 1,4:3,6-Dianhydro-2-O-[5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]hexitol, 5-O-(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, RefChem:336489
| Molecular Formula | C22H24N2O9 |
|---|---|
| Molecular Weight | 460.15 g/mol |
| LogP | 1.0729 |
| Topological Polar Surface Area | 146.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.1482 |
| Heavy Atoms | 33 |
| Complexity | 1063.7012 |
Chemical Identifiers
| CAS Number | 133908-64-2 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC2COC3C2OCC3O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC |
Product Overview
D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate) (CAS 133908-64-2), with molecular formula C22H24N2O9 and molecular weight 460.15 g/mol. IUPAC: 5-O-(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate)
Property Insights of D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate)
The XLogP value of 1.0729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate). The TPSA of 146.46 Ų indicates high polarity, suggesting D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate) has 2 hydrogen bond donor(s) and 10 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 D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate)?
The CAS number of D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate) is 133908-64-2.
What is the molecular formula of D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate)?
The molecular formula of D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate) is C22H24N2O9.
What is the molecular weight of D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate)?
The molecular weight of D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate) is 460.15 g/mol.
Where can I buy D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate)?
You can request a quote for D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate)?
Yes, KEHONG BIO provides custom synthesis services for D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.