2-(4-Nitrophenyl)propane-1,3-diol
TL;DR: 2-(4-Nitrophenyl)propane-1,3-diol (CAS 91748-03-7) is a chemical compound with molecular formula C9H11NO4 and molecular weight 197.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)propane-1,3-diol
Also Known As: 2-(4-nitrophenyl)propane-1,3-diol, RARECHEM AL BD 1252, 2-(p-Nitrophenyl)-1,3-propanediol, 2-(4-Nitrophenyl)-1,3-propanediol, 2-(P-NITROPHENYL)-1,3-PROPANDIOL
| Molecular Formula | C9H11NO4 |
|---|---|
| Molecular Weight | 197.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.0688 |
| Heavy Atoms | 14 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 91748-03-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CO)CO)[N+](=O)[O-] |
| InChIKey | LWDKPEXFAQGVTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Nitrophenyl)propane-1,3-diol (CAS 91748-03-7), with molecular formula C9H11NO4 and molecular weight 197.07 g/mol. IUPAC: 2-(4-nitrophenyl)propane-1,3-diol.
Chemical Property Profile of 2-(4-Nitrophenyl)propane-1,3-diol
Property Insights of 2-(4-Nitrophenyl)propane-1,3-diol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrophenyl)propane-1,3-diol. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)propane-1,3-diol. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)propane-1,3-diol 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-(4-Nitrophenyl)propane-1,3-diol?
The CAS number of 2-(4-Nitrophenyl)propane-1,3-diol is 91748-03-7.
What is the molecular formula of 2-(4-Nitrophenyl)propane-1,3-diol?
The molecular formula of 2-(4-Nitrophenyl)propane-1,3-diol is C9H11NO4.
What is the molecular weight of 2-(4-Nitrophenyl)propane-1,3-diol?
The molecular weight of 2-(4-Nitrophenyl)propane-1,3-diol is 197.07 g/mol.
Where can I buy 2-(4-Nitrophenyl)propane-1,3-diol?
You can request a quote for 2-(4-Nitrophenyl)propane-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenyl)propane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)propane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.