![5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol structure](/static/products/7691/769113-94-2.webp)
5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol
TL;DR: 5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol (CAS 769113-94-2) is a chemical compound with molecular formula C16H23NO and molecular weight 245.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[benzyl(propan-2-yl)amino]-2-methylpent-3-yn-2-ol
Also Known As: 5-[benzyl(propan-2-yl)amino]-2-methylpent-3-yn-2-ol, 5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol, AB00076050-01, AO-365/43473299, But-2-ynol, 4-benzyl(isopropyl)amino-1,1-dimethyl-
| Molecular Formula | C16H23NO |
|---|---|
| Molecular Weight | 245.18 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 245.17796 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 769113-94-2 |
|---|---|
| SMILES | CC(C)N(CC#CC(C)(C)O)CC1=CC=CC=C1 |
| InChIKey | HATURAWECLAASR-UHFFFAOYSA-N |
Product Overview
5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol (CAS 769113-94-2), with molecular formula C16H23NO and molecular weight 245.18 g/mol. IUPAC: 5-[benzyl(propan-2-yl)amino]-2-methylpent-3-yn-2-ol.
Chemical Property Profile of 5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol
Property Insights of 5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol. With a topological polar surface area (TPSA) of 23.5 Ų, 5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-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 5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol?
The CAS number of 5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol is 769113-94-2.
What is the molecular formula of 5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol?
The molecular formula of 5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol is C16H23NO.
What is the molecular weight of 5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol?
The molecular weight of 5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol is 245.18 g/mol.
Where can I buy 5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol?
You can request a quote for 5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-[Benzyl(isopropyl)amino]-2-methyl-3-pentyn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.