Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1)
TL;DR: Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1) (CAS 6622-34-0) is a chemical compound with molecular formula C16H11N3O7 and molecular weight 357.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-ol;1,3,5-trinitrobenzene
Also Known As: naphthalen-1-ol, N-formyl-O-methyl-DL-threonine, naphthalen-1-ol,1,3,5-trinitrobenzene, naphthalen-1-ol- 1,3,5-trinitrobenzene(1:1), naphthalen-1-ol; 1,3,5-trinitrobenzene
| Molecular Formula | C16H11N3O7 |
|---|---|
| Molecular Weight | 357.06 g/mol |
| LogP | 3.9566 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 357.0597 |
| Heavy Atoms | 26 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 6622-34-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2O.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WOAKNCDKKLAFFI-UHFFFAOYSA-N |
Product Overview
Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1) (CAS 6622-34-0), with molecular formula C16H11N3O7 and molecular weight 357.06 g/mol. IUPAC: naphthalen-1-ol;1,3,5-trinitrobenzene.
Chemical Property Profile of Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1)
Property Insights of Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1)
The XLogP value of 3.9566 indicates that Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1) has 1 hydrogen bond donor(s) and 7 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 Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1)?
The CAS number of Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1) is 6622-34-0.
What is the molecular formula of Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1)?
The molecular formula of Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1) is C16H11N3O7.
What is the molecular weight of Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1)?
The molecular weight of Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1) is 357.06 g/mol.
Where can I buy Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1)?
You can request a quote for Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1)?
Yes, KEHONG BIO provides custom synthesis services for Naphthalen-1-ol-1,3,5-trinitrobenzene(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.