Nitromesitol
TL;DR: Nitromesitol (CAS 1719-21-7) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trimethyl-3-nitrophenol
Also Known As: Nitromesitol, 3-Nitro-mesitol, 2,4,6-Trimethyl-3-nitrophenol, Phenol, 2,4,6-trimethyl-3-nitro-, 2,4,6-Trimethyl-3-nitro-phenol
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 1719-21-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1[N+](=O)[O-])C)O)C |
| InChIKey | ZVRSQGUIDRECBV-UHFFFAOYSA-N |
Product Overview
Nitromesitol (CAS 1719-21-7), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 2,4,6-trimethyl-3-nitrophenol.
Chemical Property Profile of Nitromesitol
Property Insights of Nitromesitol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitromesitol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitromesitol. Following Lipinski's Rule of Five, Nitromesitol has 1 hydrogen bond donor(s) and 3 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 Nitromesitol?
The CAS number of Nitromesitol is 1719-21-7.
What is the molecular formula of Nitromesitol?
The molecular formula of Nitromesitol is C9H11NO3.
What is the molecular weight of Nitromesitol?
The molecular weight of Nitromesitol is 181.07 g/mol.
Where can I buy Nitromesitol?
You can request a quote for Nitromesitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitromesitol?
Yes, KEHONG BIO provides custom synthesis services for Nitromesitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.