![2-Propynyl 2-[(diethylamino)carbonyl]benzoate structure](/static/products/2968/296883-72-2.webp)
2-Propynyl 2-[(diethylamino)carbonyl]benzoate
TL;DR: 2-Propynyl 2-[(diethylamino)carbonyl]benzoate (CAS 296883-72-2) is a chemical compound with molecular formula C15H17NO3 and molecular weight 259.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl 2-(diethylcarbamoyl)benzoate
Also Known As: prop-2-ynyl 2-(diethylcarbamoyl)benzoate, 2-Propynyl 2-[(diethylamino)carbonyl]benzoate, prop-2-yn-1-yl 2-(diethylcarbamoyl)benzoate, 2-Propynyl 2-[(diethylamino)carbonyl]benzoate #, Benzoic acid, 2-diethylaminnocarbonyl-, 2-propynyl ester
| Molecular Formula | C15H17NO3 |
|---|---|
| Molecular Weight | 259.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 259.12085 |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 296883-72-2 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CC=CC=C1C(=O)OCC#C |
| InChIKey | CQAKKCMGIBYDKI-UHFFFAOYSA-N |
Product Overview
2-Propynyl 2-[(diethylamino)carbonyl]benzoate (CAS 296883-72-2), with molecular formula C15H17NO3 and molecular weight 259.12 g/mol. IUPAC: prop-2-ynyl 2-(diethylcarbamoyl)benzoate.
Chemical Property Profile of 2-Propynyl 2-[(diethylamino)carbonyl]benzoate
Property Insights of 2-Propynyl 2-[(diethylamino)carbonyl]benzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propynyl 2-[(diethylamino)carbonyl]benzoate. With a topological polar surface area (TPSA) of 46.6 Ų, 2-Propynyl 2-[(diethylamino)carbonyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propynyl 2-[(diethylamino)carbonyl]benzoate has 0 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 2-Propynyl 2-[(diethylamino)carbonyl]benzoate?
The CAS number of 2-Propynyl 2-[(diethylamino)carbonyl]benzoate is 296883-72-2.
What is the molecular formula of 2-Propynyl 2-[(diethylamino)carbonyl]benzoate?
The molecular formula of 2-Propynyl 2-[(diethylamino)carbonyl]benzoate is C15H17NO3.
What is the molecular weight of 2-Propynyl 2-[(diethylamino)carbonyl]benzoate?
The molecular weight of 2-Propynyl 2-[(diethylamino)carbonyl]benzoate is 259.12 g/mol.
Where can I buy 2-Propynyl 2-[(diethylamino)carbonyl]benzoate?
You can request a quote for 2-Propynyl 2-[(diethylamino)carbonyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propynyl 2-[(diethylamino)carbonyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Propynyl 2-[(diethylamino)carbonyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.