3-(3-Nitrophenoxy)propane-1,2-diol
TL;DR: 3-(3-Nitrophenoxy)propane-1,2-diol (CAS 63991-99-1) is a chemical compound with molecular formula C9H11NO5 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitrophenoxy)propane-1,2-diol
Also Known As: 3-(m-Nitrophenoxy)-1,2-propanediol, 3-(3-nitrophenoxy)propane-1,2-diol, 3- -1,2-propanediol, 1,2-Propanediol, 3-(m-nitrophenoxy)-, 3-(3-Nitrophenoxy)-1,2-propanediol
| Molecular Formula | C9H11NO5 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.06372 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 63991-99-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCC(CO)O)[N+](=O)[O-] |
| InChIKey | HJYXCTLKGAOVHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-Nitrophenoxy)propane-1,2-diol (CAS 63991-99-1), with molecular formula C9H11NO5 and molecular weight 213.06 g/mol. IUPAC: 3-(3-nitrophenoxy)propane-1,2-diol.
Chemical Property Profile of 3-(3-Nitrophenoxy)propane-1,2-diol
Property Insights of 3-(3-Nitrophenoxy)propane-1,2-diol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Nitrophenoxy)propane-1,2-diol. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Nitrophenoxy)propane-1,2-diol. Following Lipinski's Rule of Five, 3-(3-Nitrophenoxy)propane-1,2-diol has 2 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-(3-Nitrophenoxy)propane-1,2-diol?
The CAS number of 3-(3-Nitrophenoxy)propane-1,2-diol is 63991-99-1.
What is the molecular formula of 3-(3-Nitrophenoxy)propane-1,2-diol?
The molecular formula of 3-(3-Nitrophenoxy)propane-1,2-diol is C9H11NO5.
What is the molecular weight of 3-(3-Nitrophenoxy)propane-1,2-diol?
The molecular weight of 3-(3-Nitrophenoxy)propane-1,2-diol is 213.06 g/mol.
Where can I buy 3-(3-Nitrophenoxy)propane-1,2-diol?
You can request a quote for 3-(3-Nitrophenoxy)propane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Nitrophenoxy)propane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Nitrophenoxy)propane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.