Alpha-(3-nitrophenylimino)-ortho-cresol
TL;DR: Alpha-(3-nitrophenylimino)-ortho-cresol (CAS 959-68-2) is a chemical compound with molecular formula C13H10N2O3 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-nitrophenyl)iminomethyl]phenol
Also Known As: salicylidene-m-nitroaniline, 2-[(3-Nitrophenyl)iminomethyl]phenol, 2-[(3-Nitrophenylimino)methyl]phenol, ALPHA-(3-NITROPHENYLIMINO)-ORTHO-CRESOL, 2-[[(3-Nitrophenyl)imino]methyl]phenol
| Molecular Formula | C13H10N2O3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.06914 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 959-68-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NC2=CC(=CC=C2)[N+](=O)[O-])O |
| InChIKey | LEPWMCBGSMIEGT-UHFFFAOYSA-N |
Product Overview
Alpha-(3-nitrophenylimino)-ortho-cresol (CAS 959-68-2), with molecular formula C13H10N2O3 and molecular weight 242.07 g/mol. IUPAC: 2-[(3-nitrophenyl)iminomethyl]phenol.
Chemical Property Profile of Alpha-(3-nitrophenylimino)-ortho-cresol
Property Insights of Alpha-(3-nitrophenylimino)-ortho-cresol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alpha-(3-nitrophenylimino)-ortho-cresol. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Alpha-(3-nitrophenylimino)-ortho-cresol. Following Lipinski's Rule of Five, Alpha-(3-nitrophenylimino)-ortho-cresol has 1 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 Alpha-(3-nitrophenylimino)-ortho-cresol?
The CAS number of Alpha-(3-nitrophenylimino)-ortho-cresol is 959-68-2.
What is the molecular formula of Alpha-(3-nitrophenylimino)-ortho-cresol?
The molecular formula of Alpha-(3-nitrophenylimino)-ortho-cresol is C13H10N2O3.
What is the molecular weight of Alpha-(3-nitrophenylimino)-ortho-cresol?
The molecular weight of Alpha-(3-nitrophenylimino)-ortho-cresol is 242.07 g/mol.
Where can I buy Alpha-(3-nitrophenylimino)-ortho-cresol?
You can request a quote for Alpha-(3-nitrophenylimino)-ortho-cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-(3-nitrophenylimino)-ortho-cresol?
Yes, KEHONG BIO provides custom synthesis services for Alpha-(3-nitrophenylimino)-ortho-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.