but-3-yn-2-yl N-phenylcarbamate
TL;DR: but-3-yn-2-yl N-phenylcarbamate (CAS 146514-06-9) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-yn-2-yl N-phenylcarbamate
Also Known As: but-3-yn-2-yl N-phenylcarbamate, 3-butyn-2-ol, carbanilate, 3-Butyn-2-ol,2-phenylcarbamate, But-3-yn-2-yl phenylcarbamate, 3-Butyn-2-ol,phenylcarbamate (9CI)
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 146514-06-9 |
|---|---|
| SMILES | CC(C#C)OC(=O)NC1=CC=CC=C1 |
| InChIKey | YWDLXXIEHANDLB-UHFFFAOYSA-N |
Product Overview
but-3-yn-2-yl N-phenylcarbamate (CAS 146514-06-9), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: but-3-yn-2-yl N-phenylcarbamate.
Chemical Property Profile of but-3-yn-2-yl N-phenylcarbamate
Property Insights of but-3-yn-2-yl N-phenylcarbamate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for but-3-yn-2-yl N-phenylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, but-3-yn-2-yl N-phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, but-3-yn-2-yl N-phenylcarbamate 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 but-3-yn-2-yl N-phenylcarbamate?
The CAS number of but-3-yn-2-yl N-phenylcarbamate is 146514-06-9.
What is the molecular formula of but-3-yn-2-yl N-phenylcarbamate?
The molecular formula of but-3-yn-2-yl N-phenylcarbamate is C11H11NO2.
What is the molecular weight of but-3-yn-2-yl N-phenylcarbamate?
The molecular weight of but-3-yn-2-yl N-phenylcarbamate is 189.08 g/mol.
Where can I buy but-3-yn-2-yl N-phenylcarbamate?
You can request a quote for but-3-yn-2-yl N-phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for but-3-yn-2-yl N-phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for but-3-yn-2-yl N-phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.