苯氨基甲酸-1,1-二甲基-2-丙炔酯
TL;DR: 苯氨基甲酸-1,1-二甲基-2-丙炔酯 (CAS 6289-19-6) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯氨基甲酸-1,1-二甲基-2-丙炔酯
2-methylbut-3-yn-2-yl N-phenylcarbamate
Also Known As: 1,1-Dimethyl-2-propynylcarbanilate, Phenylcarbamic acid 1,1-dimethyl-2-propynyl ester, 2-methylbut-3-yn-2-yl N-phenylcarbamate, 3-Butyn-2-ol, 2-methyl-, phenylcarbamate, 3-Butyn-2-ol,phenylcarbamate
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 6289-19-6 |
|---|---|
| SMILES | CC(C)(C#C)OC(=O)NC1=CC=CC=C1 |
| InChIKey | ULBSSUIJJSCNPA-UHFFFAOYSA-N |
Product Overview
苯氨基甲酸-1,1-二甲基-2-丙炔酯 (CAS 6289-19-6), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 2-methylbut-3-yn-2-yl N-phenylcarbamate.
Chemical Property Profile of 苯氨基甲酸-1,1-二甲基-2-丙炔酯
Property Insights of 苯氨基甲酸-1,1-二甲基-2-丙炔酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯氨基甲酸-1,1-二甲基-2-丙炔酯. With a topological polar surface area (TPSA) of 38.3 Ų, 苯氨基甲酸-1,1-二甲基-2-丙炔酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯氨基甲酸-1,1-二甲基-2-丙炔酯 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 苯氨基甲酸-1,1-二甲基-2-丙炔酯?
The CAS number of 苯氨基甲酸-1,1-二甲基-2-丙炔酯 is 6289-19-6.
What is the molecular formula of 苯氨基甲酸-1,1-二甲基-2-丙炔酯?
The molecular formula of 苯氨基甲酸-1,1-二甲基-2-丙炔酯 is C12H13NO2.
What is the molecular weight of 苯氨基甲酸-1,1-二甲基-2-丙炔酯?
The molecular weight of 苯氨基甲酸-1,1-二甲基-2-丙炔酯 is 203.09 g/mol.
Where can I buy 苯氨基甲酸-1,1-二甲基-2-丙炔酯?
You can request a quote for 苯氨基甲酸-1,1-二甲基-2-丙炔酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯氨基甲酸-1,1-二甲基-2-丙炔酯?
Yes, KEHONG BIO provides custom synthesis services for 苯氨基甲酸-1,1-二甲基-2-丙炔酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.