6-Nitro-m-cresol
TL;DR: 6-Nitro-m-cresol (CAS 700-38-9) is a chemical compound with molecular formula C7H7NO3 and molecular weight 153.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-nitrophenol
Also Known As: 5-METHYL-2-NITROPHENOL, 6-Nitro-m-cresol, Phenol, 5-methyl-2-nitro-, 6-Nitro-3-cresol, 3-Hydroxy-4-nitrotoluene
| Molecular Formula | C7H7NO3 |
|---|---|
| Molecular Weight | 153.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.04259 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 700-38-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)[N+](=O)[O-])O |
| InChIKey | NQXUSSVLFOBRSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitro-m-cresol (CAS 700-38-9), with molecular formula C7H7NO3 and molecular weight 153.04 g/mol. IUPAC: 5-methyl-2-nitrophenol.
Chemical Property Profile of 6-Nitro-m-cresol
Property Insights of 6-Nitro-m-cresol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-m-cresol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-m-cresol. Following Lipinski's Rule of Five, 6-Nitro-m-cresol 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 6-Nitro-m-cresol?
The CAS number of 6-Nitro-m-cresol is 700-38-9.
What is the molecular formula of 6-Nitro-m-cresol?
The molecular formula of 6-Nitro-m-cresol is C7H7NO3.
What is the molecular weight of 6-Nitro-m-cresol?
The molecular weight of 6-Nitro-m-cresol is 153.04 g/mol.
Where can I buy 6-Nitro-m-cresol?
You can request a quote for 6-Nitro-m-cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-m-cresol?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-m-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.