(1s,2s)-2-Nitro-1-phenylpropane-1,3-diol
TL;DR: (1s,2s)-2-Nitro-1-phenylpropane-1,3-diol (CAS 5285-85-8) 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.
(1S,2S)-2-nitro-1-phenylpropane-1,3-diol
Also Known As: (1s,2s)-2-nitro-1-phenylpropane-1,3-diol, 2-nitro-1-phenylpropane-1,3-diol, (R*,R*)-(1)-2-Nitro-1-phenylpropane-1,3-diol, (1S,2S)-2-Nitro-1-phenyl-1,3-propanediol, (1S,2S)-2-nitro-1-phenyl-propane-1,3-diol
| 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 | 186.0 |
Chemical Identifiers
| CAS Number | 5285-85-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C@@H]([C@H](CO)[N+](=O)[O-])O |
| InChIKey | KAPBNJZOLYDLQK-IUCAKERBSA-N |
Product Overview
(1s,2s)-2-Nitro-1-phenylpropane-1,3-diol (CAS 5285-85-8), with molecular formula C9H11NO4 and molecular weight 197.07 g/mol. IUPAC: (1S,2S)-2-nitro-1-phenylpropane-1,3-diol.
Chemical Property Profile of (1s,2s)-2-Nitro-1-phenylpropane-1,3-diol
Property Insights of (1s,2s)-2-Nitro-1-phenylpropane-1,3-diol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1s,2s)-2-Nitro-1-phenylpropane-1,3-diol. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (1s,2s)-2-Nitro-1-phenylpropane-1,3-diol. Following Lipinski's Rule of Five, (1s,2s)-2-Nitro-1-phenylpropane-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 (1s,2s)-2-Nitro-1-phenylpropane-1,3-diol?
The CAS number of (1s,2s)-2-Nitro-1-phenylpropane-1,3-diol is 5285-85-8.
What is the molecular formula of (1s,2s)-2-Nitro-1-phenylpropane-1,3-diol?
The molecular formula of (1s,2s)-2-Nitro-1-phenylpropane-1,3-diol is C9H11NO4.
What is the molecular weight of (1s,2s)-2-Nitro-1-phenylpropane-1,3-diol?
The molecular weight of (1s,2s)-2-Nitro-1-phenylpropane-1,3-diol is 197.07 g/mol.
Where can I buy (1s,2s)-2-Nitro-1-phenylpropane-1,3-diol?
You can request a quote for (1s,2s)-2-Nitro-1-phenylpropane-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 (1s,2s)-2-Nitro-1-phenylpropane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for (1s,2s)-2-Nitro-1-phenylpropane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.