1-Benzyl-2-butynyl phenylcarbamate
TL;DR: 1-Benzyl-2-butynyl phenylcarbamate (CAS 141543-29-5) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.12592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenylpent-3-yn-2-yl N-phenylcarbamate
Also Known As: 1-benzyl-2-butynyl phenylcarbamate, 1-phenylpent-3-yn-2-yl N-phenylcarbamate, AD-266/41884696
Technical Specifications
| Molecular Formula | C18H17NO2 |
| Molecular Weight | 279.12592 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.12592 Da |
| Heavy Atoms | 21 |
| Complexity | 381.0 |
| SMILES | CC#CC(CC1=CC=CC=C1)OC(=O)NC2=CC=CC=C2 |
| InChIKey | RBGREFJAKPORHV-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzyl-2-butynyl phenylcarbamate
Property Insights of 1-Benzyl-2-butynyl phenylcarbamate
The XLogP value of 4.1 indicates that 1-Benzyl-2-butynyl phenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 1-Benzyl-2-butynyl phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-2-butynyl 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
What is the CAS number of 1-Benzyl-2-butynyl phenylcarbamate?
The CAS number of 1-Benzyl-2-butynyl phenylcarbamate is 141543-29-5.
What is the molecular formula of 1-Benzyl-2-butynyl phenylcarbamate?
The molecular formula of 1-Benzyl-2-butynyl phenylcarbamate is C18H17NO2.
What is the molecular weight of 1-Benzyl-2-butynyl phenylcarbamate?
The molecular weight of 1-Benzyl-2-butynyl phenylcarbamate is 279.12592 g/mol.
Where can I buy 1-Benzyl-2-butynyl phenylcarbamate?
You can request a quote for 1-Benzyl-2-butynyl phenylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzyl-2-butynyl phenylcarbamate?
Yes, CoreyChem provides custom synthesis services for 1-Benzyl-2-butynyl phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.