3-Hydroxy-5-nitrophenyl dimethylcarbamate
TL;DR: 3-Hydroxy-5-nitrophenyl dimethylcarbamate (CAS 138680-82-7) is a chemical compound with molecular formula C9H10N2O5 and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-5-nitrophenyl) N,N-dimethylcarbamate
Also Known As: 3-hydroxy-5-nitrophenyl dimethylcarbamate, (3-hydroxy-5-nitrophenyl) N,N-dimethylcarbamate, Dimethyl-carbamidsaeure-(3-hydroxy-5-nitro-phenylester)
| Molecular Formula | C9H10N2O5 |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.05898 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 138680-82-7 |
|---|---|
| SMILES | CN(C)C(=O)OC1=CC(=CC(=C1)O)[N+](=O)[O-] |
| InChIKey | BILOSMALXANGCQ-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-5-nitrophenyl dimethylcarbamate (CAS 138680-82-7), with molecular formula C9H10N2O5 and molecular weight 226.06 g/mol. IUPAC: (3-hydroxy-5-nitrophenyl) N,N-dimethylcarbamate.
Chemical Property Profile of 3-Hydroxy-5-nitrophenyl dimethylcarbamate
Property Insights of 3-Hydroxy-5-nitrophenyl dimethylcarbamate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-5-nitrophenyl dimethylcarbamate. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-5-nitrophenyl dimethylcarbamate. Following Lipinski's Rule of Five, 3-Hydroxy-5-nitrophenyl dimethylcarbamate has 1 hydrogen bond donor(s) and 5 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 3-Hydroxy-5-nitrophenyl dimethylcarbamate?
The CAS number of 3-Hydroxy-5-nitrophenyl dimethylcarbamate is 138680-82-7.
What is the molecular formula of 3-Hydroxy-5-nitrophenyl dimethylcarbamate?
The molecular formula of 3-Hydroxy-5-nitrophenyl dimethylcarbamate is C9H10N2O5.
What is the molecular weight of 3-Hydroxy-5-nitrophenyl dimethylcarbamate?
The molecular weight of 3-Hydroxy-5-nitrophenyl dimethylcarbamate is 226.06 g/mol.
Where can I buy 3-Hydroxy-5-nitrophenyl dimethylcarbamate?
You can request a quote for 3-Hydroxy-5-nitrophenyl dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-5-nitrophenyl dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-5-nitrophenyl dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.