1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1)
TL;DR: 1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1) (CAS 54137-36-9) is a chemical compound with molecular formula C24H28ClNO4 and molecular weight 429.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-morpholin-4-ium-4-yl-3-phenylhex-5-yn-3-yl) 2-phenoxyacetate chloride
Also Known As: Acetic acid, phenoxy-, 1-(2-(4-morpholinyl)ethyl)-1-phenyl-3-butynyl ester, hydrochloride, Phenoxyacetic acid 1-(2-(4-morpholinyl)ethyl)-1-phenyl-3-butynyl ester hydrochloride, (1-morpholin-4-ium-4-yl-3-phenylhex-5-yn-3-yl) 2-phenoxyacetate chloride, 1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1), RefChem:1054719
| Molecular Formula | C24H28ClNO4 |
|---|---|
| Molecular Weight | 429.17 g/mol |
| LogP | -1.16 |
| Topological Polar Surface Area | 49.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 429.1707 |
| Heavy Atoms | 30 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 54137-36-9 |
|---|---|
| SMILES | C#CCC(CC[NH+]1CCOCC1)(C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3.[Cl-] |
| InChIKey | PQKDMYUFSYNPFG-UHFFFAOYSA-N |
Product Overview
1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1) (CAS 54137-36-9), with molecular formula C24H28ClNO4 and molecular weight 429.17 g/mol. IUPAC: (1-morpholin-4-ium-4-yl-3-phenylhex-5-yn-3-yl) 2-phenoxyacetate chloride.
Chemical Property Profile of 1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1)
Property Insights of 1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1)
The XLogP value of -1.16 indicates that 1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.2 Ų, 1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 5 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 1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1)?
The CAS number of 1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1) is 54137-36-9.
What is the molecular formula of 1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1)?
The molecular formula of 1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1) is C24H28ClNO4.
What is the molecular weight of 1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1)?
The molecular weight of 1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1) is 429.17 g/mol.
Where can I buy 1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1)?
You can request a quote for 1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1-(Morpholin-4-yl)-3-phenylhex-5-yn-3-yl phenoxyacetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.