3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate
TL;DR: 3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate (CAS 67603-56-9) is a chemical compound with molecular formula C23H41NO4S and molecular weight 427.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium;ethanesulfonate
Also Known As: (3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium ethanesulfonate, (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium; ethanesulfonate, 2-(4-Hydroxy-3-methylbutan-2-ylidene)cyclopentan-1-one, 3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate, AMMONIUM, (3-CYCLOHEXYL-3-HYDROXY-3-PHENYLPROPYL)TRIETHYL-, ETHANESULFONATE
| Molecular Formula | C23H41NO4S |
|---|---|
| Molecular Weight | 427.28 g/mol |
| LogP | 4.27 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.27563 |
| Heavy Atoms | 29 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 67603-56-9 |
|---|---|
| SMILES | CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O.CCS(=O)(=O)[O-] |
| InChIKey | GSIJHPZDYIVQGS-UHFFFAOYSA-M |
Product Overview
3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate (CAS 67603-56-9), with molecular formula C23H41NO4S and molecular weight 427.28 g/mol. IUPAC: (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium;ethanesulfonate.
Chemical Property Profile of 3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate
Property Insights of 3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate
The XLogP value of 4.27 indicates that 3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate. Following Lipinski's Rule of Five, 3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate 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-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate?
The CAS number of 3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate is 67603-56-9.
What is the molecular formula of 3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate?
The molecular formula of 3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate is C23H41NO4S.
What is the molecular weight of 3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate?
The molecular weight of 3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate is 427.28 g/mol.
Where can I buy 3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate?
You can request a quote for 3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.