![2-[(3-Nitroanilino)methyl]phenol structure](/static/products/997/99779-37-0.png)
2-[(3-Nitroanilino)methyl]phenol
TL;DR: 2-[(3-Nitroanilino)methyl]phenol (CAS 99779-37-0) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-nitroanilino)methyl]phenol
Also Known As: alpha-(m-Nitroanilino)-o-cresol, 2-[(3-nitroanilino)methyl]phenol, 2-(((3-nitrophenyl)amino)methyl)phenol, 2-{[(3-nitrophenyl)amino]methyl}phenol
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 99779-37-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC2=CC(=CC=C2)[N+](=O)[O-])O |
| InChIKey | ZJXHPHFYIKONID-UHFFFAOYSA-N |
Product Overview
2-[(3-Nitroanilino)methyl]phenol (CAS 99779-37-0), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: 2-[(3-nitroanilino)methyl]phenol.
Chemical Property Profile of 2-[(3-Nitroanilino)methyl]phenol
Property Insights of 2-[(3-Nitroanilino)methyl]phenol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Nitroanilino)methyl]phenol. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Nitroanilino)methyl]phenol. Following Lipinski's Rule of Five, 2-[(3-Nitroanilino)methyl]phenol has 2 hydrogen bond donor(s) and 4 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 2-[(3-Nitroanilino)methyl]phenol?
The CAS number of 2-[(3-Nitroanilino)methyl]phenol is 99779-37-0.
What is the molecular formula of 2-[(3-Nitroanilino)methyl]phenol?
The molecular formula of 2-[(3-Nitroanilino)methyl]phenol is C13H12N2O3.
What is the molecular weight of 2-[(3-Nitroanilino)methyl]phenol?
The molecular weight of 2-[(3-Nitroanilino)methyl]phenol is 244.08 g/mol.
Where can I buy 2-[(3-Nitroanilino)methyl]phenol?
You can request a quote for 2-[(3-Nitroanilino)methyl]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Nitroanilino)methyl]phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Nitroanilino)methyl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.