![1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol structure](/static/products/1027/102770-58-1.webp)
1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol
TL;DR: 1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol (CAS 102770-58-1) is a chemical compound with molecular formula C21H25NO2 and molecular weight 323.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(tert-butylamino)-3-[2-(2-phenylethynyl)phenoxy]propan-2-ol
Also Known As: KST-1A9827, 1-(tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol, 1-(tert-butylamino)-3-[2-(2-phenylethynyl)phenoxy]propan-2-ol, 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-(phenylethynyl)phenoxy)-, 2-Propanol,1-[(1,1-dimethylethyl)amino]-3-[2-(2-phenylethynyl)phenoxy]-
| Molecular Formula | C21H25NO2 |
|---|---|
| Molecular Weight | 323.19 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 323.18854 |
| Heavy Atoms | 24 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 102770-58-1 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=CC=CC=C1C#CC2=CC=CC=C2)O |
| InChIKey | JMAXVDBDYFOEFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol (CAS 102770-58-1), with molecular formula C21H25NO2 and molecular weight 323.19 g/mol. IUPAC: 1-(tert-butylamino)-3-[2-(2-phenylethynyl)phenoxy]propan-2-ol.
Chemical Property Profile of 1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol
Property Insights of 1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol
The XLogP value of 4.2 indicates that 1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, 1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol has 2 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 1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol?
The CAS number of 1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol is 102770-58-1.
What is the molecular formula of 1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol?
The molecular formula of 1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol is C21H25NO2.
What is the molecular weight of 1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol?
The molecular weight of 1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol is 323.19 g/mol.
Where can I buy 1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol?
You can request a quote for 1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(Tert-butylamino)-3-[2-(phenylethynyl)phenoxy]propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.