3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)-
TL;DR: 3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)- (CAS 33432-52-9) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(3-nitrophenyl)but-3-yn-2-ol
Also Known As: 2-Methyl-4-(3-nitrophenyl)-3-butyn-2-ol, Erlotinib Impurity 105, 2-methyl-4-(3-nitrophenyl)but-3-yn-2-ol, Erlotinib Impurity 91, 3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)-
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 33432-52-9 |
|---|---|
| SMILES | CC(C)(C#CC1=CC(=CC=C1)[N+](=O)[O-])O |
| InChIKey | SFSQLOPNXVVBLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)- (CAS 33432-52-9), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: 2-methyl-4-(3-nitrophenyl)but-3-yn-2-ol.
Chemical Property Profile of 3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)-
Property Insights of 3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)-. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)-. Following Lipinski's Rule of Five, 3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)- 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 3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)-?
The CAS number of 3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)- is 33432-52-9.
What is the molecular formula of 3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)-?
The molecular formula of 3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)- is C11H11NO3.
What is the molecular weight of 3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)-?
The molecular weight of 3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)- is 205.07 g/mol.
Where can I buy 3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)-?
You can request a quote for 3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyn-2-ol, 2-methyl-4-(3-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.