2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide
TL;DR: 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide (CAS 126395-25-3) is a chemical compound with molecular formula C20H32N2O6 and molecular weight 396.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide
Also Known As: 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide, Benzamide, 2,4,6-trihydroxy-3-nitro-N-tridecyl-, RD2-4083, 2,4,6-Trihydroxy-3-nitro-N-tridecyl-benzamide, 3-Nitro-2,4,6-tris(oxidanyl)-N-tridecyl-benzamide
| Molecular Formula | C20H32N2O6 |
|---|---|
| Molecular Weight | 396.23 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 396.22604 |
| Heavy Atoms | 28 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 126395-25-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCNC(=O)C1=C(C(=C(C=C1O)O)[N+](=O)[O-])O |
| InChIKey | MSWMANFKQVMQAR-UHFFFAOYSA-N |
Product Overview
2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide (CAS 126395-25-3), with molecular formula C20H32N2O6 and molecular weight 396.23 g/mol. IUPAC: 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide.
Chemical Property Profile of 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide
Property Insights of 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide
The XLogP value of 7.7 indicates that 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide. Following Lipinski's Rule of Five, 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide?
The CAS number of 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide is 126395-25-3.
What is the molecular formula of 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide?
The molecular formula of 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide is C20H32N2O6.
What is the molecular weight of 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide?
The molecular weight of 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide is 396.23 g/mol.
Where can I buy 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide?
You can request a quote for 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.