3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl-
TL;DR: 3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl- (CAS 69088-96-6) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-aminophenyl)-2-methylbut-3-yn-2-ol
Also Known As: 4-(3-Aminophenyl)-2-methyl-3-butyn-2-ol, 4-(3-aminophenyl)-2-methylbut-3-yn-2-ol, Erlotinib Impurity 40, Erlotinib Impurity 41, 3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl-
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 69088-96-6 |
|---|---|
| SMILES | CC(C)(C#CC1=CC(=CC=C1)N)O |
| InChIKey | DQPSETABKZMTEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl- (CAS 69088-96-6), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 4-(3-aminophenyl)-2-methylbut-3-yn-2-ol.
Chemical Property Profile of 3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl-
Property Insights of 3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl-. With a topological polar surface area (TPSA) of 46.3 Ų, 3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl- has 2 hydrogen bond donor(s) and 2 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, 4-(3-aminophenyl)-2-methyl-?
The CAS number of 3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl- is 69088-96-6.
What is the molecular formula of 3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl-?
The molecular formula of 3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl- is C11H13NO.
What is the molecular weight of 3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl-?
The molecular weight of 3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl- is 175.10 g/mol.
Where can I buy 3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl-?
You can request a quote for 3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl- 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, 4-(3-aminophenyl)-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.