N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide
TL;DR: N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide (CAS 337497-19-5) is a chemical compound with molecular formula C21H23N3O8 and molecular weight 445.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3,5-dinitrobenzamide
Also Known As: BAS 01322450, N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3,5-dinitrobenzamide, N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide, N-[4-(3,4-Dimethoxy-phenyl)-tetrahydro-pyran-4-ylmethyl]-3,5-dinitro-benzamide, N-{[4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl]methyl}-3,5-dinitrobenzamide
| Molecular Formula | C21H23N3O8 |
|---|---|
| Molecular Weight | 445.15 g/mol |
| LogP | 2.9984 |
| Topological Polar Surface Area | 143.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.14853 |
| Heavy Atoms | 32 |
| Complexity | 1001.44995 |
Chemical Identifiers
| CAS Number | 337497-19-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2(CCOCC2)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC |
Product Overview
N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide (CAS 337497-19-5), with molecular formula C21H23N3O8 and molecular weight 445.15 g/mol. IUPAC: N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3,5-dinitrobenzamide.
Chemical Property Profile of N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide
Property Insights of N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide
The XLogP value of 2.9984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide. The TPSA of 143.07 Ų indicates high polarity, suggesting N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide has 1 hydrogen bond donor(s) and 8 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 N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide?
The CAS number of N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide is 337497-19-5.
What is the molecular formula of N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide?
The molecular formula of N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide is C21H23N3O8.
What is the molecular weight of N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide?
The molecular weight of N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide is 445.15 g/mol.
Where can I buy N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide?
You can request a quote for N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.