3-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--hydrogen chloride (1/1)
TL;DR: 3-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--hydrogen chloride (1/1) (CAS 4399-04-6) is a chemical compound with molecular formula C21H26ClNO3 and molecular weight 375.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-morpholin-4-ium-4-yl-1-phenylpropyl) 2-phenylacetate chloride
Also Known As: Phenylacetic acid alpha-(2-morpholinoethyl)benzyl ester hydrochloride, 4-Morpholinepropanol, alpha-phenyl-, phenylacetate (ester), hydrochloride, (3-morpholin-4-ium-4-yl-1-phenylpropyl) 2-phenylacetate chloride, ACETIC ACID, PHENYL-, alpha-(2-MORPHOLINOETHYL)BENZYL ESTER, HYDROCHLORIDE, 3-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--hydrogen chloride (1/1)
| Molecular Formula | C21H26ClNO3 |
|---|---|
| Molecular Weight | 375.16 g/mol |
| LogP | -1.18 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 375.16013 |
| Heavy Atoms | 26 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 4399-04-6 |
|---|---|
| SMILES | C1COCC[NH+]1CCC(C2=CC=CC=C2)OC(=O)CC3=CC=CC=C3.[Cl-] |
| InChIKey | QQOOQWRLHDXGNC-UHFFFAOYSA-N |
Product Overview
3-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--hydrogen chloride (1/1) (CAS 4399-04-6), with molecular formula C21H26ClNO3 and molecular weight 375.16 g/mol. IUPAC: (3-morpholin-4-ium-4-yl-1-phenylpropyl) 2-phenylacetate chloride.
Chemical Property Profile of 3-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--hydrogen chloride (1/1)
Property Insights of 3-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--hydrogen chloride (1/1)
The XLogP value of -1.18 indicates that 3-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--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 40.0 Ų, 3-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--hydrogen chloride (1/1) has 1 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-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--hydrogen chloride (1/1)?
The CAS number of 3-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--hydrogen chloride (1/1) is 4399-04-6.
What is the molecular formula of 3-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--hydrogen chloride (1/1)?
The molecular formula of 3-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--hydrogen chloride (1/1) is C21H26ClNO3.
What is the molecular weight of 3-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--hydrogen chloride (1/1)?
The molecular weight of 3-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--hydrogen chloride (1/1) is 375.16 g/mol.
Where can I buy 3-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--hydrogen chloride (1/1)?
You can request a quote for 3-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--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 3-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Morpholin-4-yl)-1-phenylpropyl phenylacetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.