1-Nitro-4-phenylbutan-2-OL
TL;DR: 1-Nitro-4-phenylbutan-2-OL (CAS 85290-51-3) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-phenylbutan-2-ol
Also Known As: 1nitro-4-phenyl-2-butanol, 4-phenyl-1-nitro-2-butanol, 1-Nitro-4-phenyl-2-butanol, 1-NITRO-4-PHENYLBUTAN-2-OL, Benzenepropanol, alpha-(nitromethyl)-
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 1.2568 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 286.6784 |
Chemical Identifiers
| CAS Number | 85290-51-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(C[N+](=O)[O-])O |
Product Overview
1-Nitro-4-phenylbutan-2-OL (CAS 85290-51-3), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: 1-nitro-4-phenylbutan-2-ol.
Chemical Property Profile of 1-Nitro-4-phenylbutan-2-OL
Property Insights of 1-Nitro-4-phenylbutan-2-OL
The XLogP value of 1.2568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-4-phenylbutan-2-OL. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-4-phenylbutan-2-OL. Following Lipinski's Rule of Five, 1-Nitro-4-phenylbutan-2-OL 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 1-Nitro-4-phenylbutan-2-OL?
The CAS number of 1-Nitro-4-phenylbutan-2-OL is 85290-51-3.
What is the molecular formula of 1-Nitro-4-phenylbutan-2-OL?
The molecular formula of 1-Nitro-4-phenylbutan-2-OL is C10H13NO3.
What is the molecular weight of 1-Nitro-4-phenylbutan-2-OL?
The molecular weight of 1-Nitro-4-phenylbutan-2-OL is 195.09 g/mol.
Where can I buy 1-Nitro-4-phenylbutan-2-OL?
You can request a quote for 1-Nitro-4-phenylbutan-2-OL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-4-phenylbutan-2-OL?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-phenylbutan-2-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.