4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol
TL;DR: 4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol (CAS 82815-75-6) 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-(4-aminophenyl)-2-methylbut-3-yn-2-ol
Also Known As: 4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol, 4-(4-aminophenyl)-2-methylbut-3-yn-2-ol, 0232AF, 4-(4-aminophenyl)-2-methyl-3-butyn-2-ol, BAS 10979688
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 1.3912 |
| Topological Polar Surface Area | 46.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 335.08353 |
Chemical Identifiers
| CAS Number | 82815-75-6 |
|---|---|
| SMILES | CC(C)(C#CC1=CC=C(C=C1)N)O |
Product Overview
4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol (CAS 82815-75-6), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 4-(4-aminophenyl)-2-methylbut-3-yn-2-ol.
Chemical Property Profile of 4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol
Property Insights of 4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol
The XLogP value of 1.3912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol. With a topological polar surface area (TPSA) of 46.25 Ų, 4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol 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 4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol?
The CAS number of 4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol is 82815-75-6.
What is the molecular formula of 4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol?
The molecular formula of 4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol is C11H13NO.
What is the molecular weight of 4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol?
The molecular weight of 4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol is 175.10 g/mol.
Where can I buy 4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol?
You can request a quote for 4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Amino-phenyl)-2-methyl-but-3-yn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.