2-Nitro-2-phenyl-1,3-propanediol
TL;DR: 2-Nitro-2-phenyl-1,3-propanediol (CAS 5428-13-7) 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-nitro-2-phenylpropane-1,3-diol
Also Known As: 2-nitro-2-phenylpropane-1,3-diol, 2-Nitro-2-phenyl-propane-1,3-diol, 2-Nitro-2-phenyl-1,3-propanediol, 1,3-Propanediol,2-nitro-2-phenyl-, 2,2-Bis(6-hydroxyphenyl)propane
| Molecular Formula | C9H11NO4 |
|---|---|
| Molecular Weight | 197.07 g/mol |
| LogP | 0.2 |
| 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 | 191.0 |
Chemical Identifiers
| CAS Number | 5428-13-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CO)(CO)[N+](=O)[O-] |
| InChIKey | AJRYCRIQZBMNEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-2-phenyl-1,3-propanediol (CAS 5428-13-7), with molecular formula C9H11NO4 and molecular weight 197.07 g/mol. IUPAC: 2-nitro-2-phenylpropane-1,3-diol.
Chemical Property Profile of 2-Nitro-2-phenyl-1,3-propanediol
Property Insights of 2-Nitro-2-phenyl-1,3-propanediol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-2-phenyl-1,3-propanediol. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-2-phenyl-1,3-propanediol. Following Lipinski's Rule of Five, 2-Nitro-2-phenyl-1,3-propanediol 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-Nitro-2-phenyl-1,3-propanediol?
The CAS number of 2-Nitro-2-phenyl-1,3-propanediol is 5428-13-7.
What is the molecular formula of 2-Nitro-2-phenyl-1,3-propanediol?
The molecular formula of 2-Nitro-2-phenyl-1,3-propanediol is C9H11NO4.
What is the molecular weight of 2-Nitro-2-phenyl-1,3-propanediol?
The molecular weight of 2-Nitro-2-phenyl-1,3-propanediol is 197.07 g/mol.
Where can I buy 2-Nitro-2-phenyl-1,3-propanediol?
You can request a quote for 2-Nitro-2-phenyl-1,3-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-2-phenyl-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-2-phenyl-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.