3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate
TL;DR: 3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate (CAS 65498-89-7) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxybenzoic acid;2-methylbut-3-yn-2-amine
Also Known As: Esculentoside, 1,1-Dimethyl-2-propynylamine acetyl salicylate, 2-Methyl-3-butyn-2-amine2- benzoate, 2-Methyl-3-butyn-2-amine 2-(acetyloxy)benzoate, 3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 1.667 |
| Topological Polar Surface Area | 89.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 494.9028 |
Chemical Identifiers
| CAS Number | 65498-89-7 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)O.CC(C)(C#C)N |
Product Overview
3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate (CAS 65498-89-7), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: 2-acetyloxybenzoic acid;2-methylbut-3-yn-2-amine.
Chemical Property Profile of 3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate
Property Insights of 3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate
The XLogP value of 1.667 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate. The TPSA of 89.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate. Following Lipinski's Rule of Five, 3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate has 2 hydrogen bond donor(s) and 4 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 3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate?
The CAS number of 3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate is 65498-89-7.
What is the molecular formula of 3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate?
The molecular formula of 3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate is C14H17NO4.
What is the molecular weight of 3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate?
The molecular weight of 3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate is 263.12 g/mol.
Where can I buy 3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate?
You can request a quote for 3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyn-2-amine, 2-methyl-, 2-(acetyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.