2-Nitro-1-phenylbutan-1-ol
TL;DR: 2-Nitro-1-phenylbutan-1-ol (CAS 93289-22-6) 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.
2-nitro-1-phenylbutan-1-ol
Also Known As: 2-nitro-1-phenylbutan-1-ol, 1-phenyl-2-nitro-1-butanol, 1-phenyl-2-nitro-butan-1-ol, alpha-(1-Nitropropyl)benzenemethanol, RefChem:264259
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 93289-22-6 |
|---|---|
| SMILES | CCC(C(C1=CC=CC=C1)O)[N+](=O)[O-] |
| InChIKey | DEIWOGBITNROQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-1-phenylbutan-1-ol (CAS 93289-22-6), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: 2-nitro-1-phenylbutan-1-ol.
Chemical Property Profile of 2-Nitro-1-phenylbutan-1-ol
Property Insights of 2-Nitro-1-phenylbutan-1-ol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-1-phenylbutan-1-ol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-1-phenylbutan-1-ol. Following Lipinski's Rule of Five, 2-Nitro-1-phenylbutan-1-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 2-Nitro-1-phenylbutan-1-ol?
The CAS number of 2-Nitro-1-phenylbutan-1-ol is 93289-22-6.
What is the molecular formula of 2-Nitro-1-phenylbutan-1-ol?
The molecular formula of 2-Nitro-1-phenylbutan-1-ol is C10H13NO3.
What is the molecular weight of 2-Nitro-1-phenylbutan-1-ol?
The molecular weight of 2-Nitro-1-phenylbutan-1-ol is 195.09 g/mol.
Where can I buy 2-Nitro-1-phenylbutan-1-ol?
You can request a quote for 2-Nitro-1-phenylbutan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-1-phenylbutan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-1-phenylbutan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.