3,5-dinitro-N-propan-2-ylbenzamide
TL;DR: 3,5-dinitro-N-propan-2-ylbenzamide (CAS 10056-19-6) is a chemical compound with molecular formula C10H11N3O5 and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitro-N-propan-2-ylbenzamide
Also Known As: 3,5-dinitro-N-propan-2-ylbenzamide, 3,5-dinitro-(N-isopropyl)-benzamide, N-ISOPROPYL-3,5-DINITROBENZAMIDE, N-Isopropyl-3.5-dinitro-benzamid, N-Isopropyl-3,5-dinitro-benzamide
| Molecular Formula | C10H11N3O5 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.06987 |
| Heavy Atoms | 18 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 10056-19-6 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HDBVLHIQSYYAII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-dinitro-N-propan-2-ylbenzamide (CAS 10056-19-6), with molecular formula C10H11N3O5 and molecular weight 253.07 g/mol. IUPAC: 3,5-dinitro-N-propan-2-ylbenzamide.
Chemical Property Profile of 3,5-dinitro-N-propan-2-ylbenzamide
Property Insights of 3,5-dinitro-N-propan-2-ylbenzamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dinitro-N-propan-2-ylbenzamide. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dinitro-N-propan-2-ylbenzamide. Following Lipinski's Rule of Five, 3,5-dinitro-N-propan-2-ylbenzamide has 1 hydrogen bond donor(s) and 5 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-propan-2-ylbenzamide?
The CAS number of 3,5-dinitro-N-propan-2-ylbenzamide is 10056-19-6.
What is the molecular formula of 3,5-dinitro-N-propan-2-ylbenzamide?
The molecular formula of 3,5-dinitro-N-propan-2-ylbenzamide is C10H11N3O5.
What is the molecular weight of 3,5-dinitro-N-propan-2-ylbenzamide?
The molecular weight of 3,5-dinitro-N-propan-2-ylbenzamide is 253.07 g/mol.
Where can I buy 3,5-dinitro-N-propan-2-ylbenzamide?
You can request a quote for 3,5-dinitro-N-propan-2-ylbenzamide 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-propan-2-ylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dinitro-N-propan-2-ylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.