Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel-
TL;DR: Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel- (CAS 138668-23-2) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-4-nitro-1-phenylpentan-3-ol
Also Known As: (3R,4R)-4-nitro-1-phenylpentan-3-ol, Benzenepropanol, alpha-(1-nitroethyl)-, (R*,R*)-, Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel-, (3R,4R)-1-Phenyl-4-nitro-3-pentanol, (2R,3R)-2-Nitro-5-phenylpentane-3-ol
| Molecular Formula | C11H15NO3 |
|---|---|
| Molecular Weight | 209.11 g/mol |
| LogP | 1.6453 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 209.1052 |
| Heavy Atoms | 15 |
| Complexity | 312.8689 |
Chemical Identifiers
| CAS Number | 138668-23-2 |
|---|---|
| SMILES | C[C@H]([C@@H](CCC1=CC=CC=C1)O)[N+](=O)[O-] |
Product Overview
Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel- (CAS 138668-23-2), with molecular formula C11H15NO3 and molecular weight 209.11 g/mol. IUPAC: (3R,4R)-4-nitro-1-phenylpentan-3-ol.
Chemical Property Profile of Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel-
Property Insights of Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel-
The XLogP value of 1.6453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel-. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel-. Following Lipinski's Rule of Five, Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel- has 1 hydrogen bond donor(s) and 3 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 Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel-?
The CAS number of Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel- is 138668-23-2.
What is the molecular formula of Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel-?
The molecular formula of Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel- is C11H15NO3.
What is the molecular weight of Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel-?
The molecular weight of Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel- is 209.11 g/mol.
Where can I buy Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel-?
You can request a quote for Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanol, alpha-((1R)-1-nitroethyl)-, (alphaR)-rel- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.