RefChem:1059122
TL;DR: RefChem:1059122 (CAS 66827-40-5) is a chemical compound with molecular formula C23H36ClNO3 and molecular weight 409.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-3-morpholin-4-ium-4-ylpropyl) 2-cyclohexyl-2-phenylacetate chloride
Also Known As: beta,beta-Dimethyl-gamma-4-morpholinepropylphenylcyclohexaneacetate hydrochloride, 2-Cyclohexyl-2-phenylacetic acid (2,2-dimethyl-3-morpholinopropyl) ester hydrochloride, Acetic acid, 2-cyclohexyl-2-phenyl-, (2,2-dimethyl-3-morpholinopropyl) ester, hydrochloride, Acetic acid, cyclohexylphenyl-, 2,2-dimethyl-3-(4-morpholinyl)propyl ester, hydrochloride, (2,2-dimethyl-3-morpholin-4-ium-4-ylpropyl) 2-cyclohexyl-2-phenylacetate chloride
| Molecular Formula | C23H36ClNO3 |
|---|---|
| Molecular Weight | 409.24 g/mol |
| LogP | -0.16 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.23837 |
| Heavy Atoms | 28 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 66827-40-5 |
|---|---|
| SMILES | CC(C)(C[NH+]1CCOCC1)COC(=O)C(C2CCCCC2)C3=CC=CC=C3.[Cl-] |
| InChIKey | VDJOYMWJYWFIRW-UHFFFAOYSA-N |
Product Overview
RefChem:1059122 (CAS 66827-40-5), with molecular formula C23H36ClNO3 and molecular weight 409.24 g/mol. IUPAC: (2,2-dimethyl-3-morpholin-4-ium-4-ylpropyl) 2-cyclohexyl-2-phenylacetate chloride.
Chemical Property Profile of RefChem:1059122
Property Insights of RefChem:1059122
The XLogP value of -0.16 indicates that RefChem:1059122 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, RefChem:1059122 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1059122 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 RefChem:1059122?
The CAS number of RefChem:1059122 is 66827-40-5.
What is the molecular formula of RefChem:1059122?
The molecular formula of RefChem:1059122 is C23H36ClNO3.
What is the molecular weight of RefChem:1059122?
The molecular weight of RefChem:1059122 is 409.24 g/mol.
Where can I buy RefChem:1059122?
You can request a quote for RefChem:1059122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1059122?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1059122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.