4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester
TL;DR: 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester (CAS 102043-50-5) is a chemical compound with molecular formula C18H23NO3 and molecular weight 301.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpent-1-yn-3-yl 2-morpholin-4-yl-2-phenylacetate
Also Known As: 3-Methyl-1-pentyn-3-yl alpha-phenyl-4-morpholineacetate, 4-27-00-00349 (Beilstein Handbook Reference), 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester, alpha-Phenyl-4-morpholineacetic acid, 3-methyl-1-pentyn-3-yl ester, 3-Methylpent-1-yn-3-yl (morpholin-4-yl)(phenyl)acetate
| Molecular Formula | C18H23NO3 |
|---|---|
| Molecular Weight | 301.17 g/mol |
| LogP | 2.405 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.1678 |
| Heavy Atoms | 22 |
| Complexity | 531.0133 |
Chemical Identifiers
| CAS Number | 102043-50-5 |
|---|---|
| SMILES | CCC(C)(C#C)OC(=O)C(C1=CC=CC=C1)N2CCOCC2 |
Product Overview
4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester (CAS 102043-50-5), with molecular formula C18H23NO3 and molecular weight 301.17 g/mol. IUPAC: 3-methylpent-1-yn-3-yl 2-morpholin-4-yl-2-phenylacetate.
Chemical Property Profile of 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester
Property Insights of 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester
The XLogP value of 2.405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester. With a topological polar surface area (TPSA) of 38.77 Ų, 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester has 0 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 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester?
The CAS number of 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester is 102043-50-5.
What is the molecular formula of 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester?
The molecular formula of 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester is C18H23NO3.
What is the molecular weight of 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester?
The molecular weight of 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester is 301.17 g/mol.
Where can I buy 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester?
You can request a quote for 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.