3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide
TL;DR: 3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide (CAS 58624-55-8) is a chemical compound with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide
Also Known As: 3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide, BAS 00342549, 3,5-dinitro-N-(tetrahydrofuran-2-ylmethyl)benzamide, 3,5-bisnitro-N-(tetrahydrofuran-2-ylmethyl)benzamide, 3,5-dinitro-N-(tetrahydro-2-furanylmethyl)benzamide
| Molecular Formula | C12H13N3O6 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.08044 |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 58624-55-8 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QAEHFUQRAUYYJY-UHFFFAOYSA-N |
Product Overview
3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide (CAS 58624-55-8), with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol. IUPAC: 3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide.
Chemical Property Profile of 3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide
Property Insights of 3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide. Following Lipinski's Rule of Five, 3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide has 1 hydrogen bond donor(s) and 6 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 3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide?
The CAS number of 3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide is 58624-55-8.
What is the molecular formula of 3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide?
The molecular formula of 3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide is C12H13N3O6.
What is the molecular weight of 3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide?
The molecular weight of 3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide is 295.08 g/mol.
Where can I buy 3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide?
You can request a quote for 3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.