4-(Dimethylamino)-4-phenylbut-2-yn-1-ol
TL;DR: 4-(Dimethylamino)-4-phenylbut-2-yn-1-ol (CAS 86111-73-1) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-4-phenylbut-2-yn-1-ol
Also Known As: 4-(dimethylamino)-4-phenylbut-2-yn-1-ol
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 86111-73-1 |
|---|---|
| SMILES | CN(C)C(C#CCO)C1=CC=CC=C1 |
| InChIKey | IUYVOHGHLAQFCZ-UHFFFAOYSA-N |
Product Overview
4-(Dimethylamino)-4-phenylbut-2-yn-1-ol (CAS 86111-73-1), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 4-(dimethylamino)-4-phenylbut-2-yn-1-ol.
Chemical Property Profile of 4-(Dimethylamino)-4-phenylbut-2-yn-1-ol
Property Insights of 4-(Dimethylamino)-4-phenylbut-2-yn-1-ol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Dimethylamino)-4-phenylbut-2-yn-1-ol. With a topological polar surface area (TPSA) of 23.5 Ų, 4-(Dimethylamino)-4-phenylbut-2-yn-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dimethylamino)-4-phenylbut-2-yn-1-ol has 1 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-(Dimethylamino)-4-phenylbut-2-yn-1-ol?
The CAS number of 4-(Dimethylamino)-4-phenylbut-2-yn-1-ol is 86111-73-1.
What is the molecular formula of 4-(Dimethylamino)-4-phenylbut-2-yn-1-ol?
The molecular formula of 4-(Dimethylamino)-4-phenylbut-2-yn-1-ol is C12H15NO.
What is the molecular weight of 4-(Dimethylamino)-4-phenylbut-2-yn-1-ol?
The molecular weight of 4-(Dimethylamino)-4-phenylbut-2-yn-1-ol is 189.12 g/mol.
Where can I buy 4-(Dimethylamino)-4-phenylbut-2-yn-1-ol?
You can request a quote for 4-(Dimethylamino)-4-phenylbut-2-yn-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dimethylamino)-4-phenylbut-2-yn-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylamino)-4-phenylbut-2-yn-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.