RefChem:1067669
TL;DR: RefChem:1067669 (CAS 67603-57-0) is a chemical compound with molecular formula C25H45NO4S and molecular weight 455.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1-sulfonate;(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium
Also Known As: (3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium butanesulfonate, AMMONIUM, (3-CYCLOHEXYL-3-HYDROXY-3-PHENYLPROPYL)TRIETHYL-, BUTANESULFONATE, butane-1-sulfonate;(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium, 3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium butane-1-sulfonate, butane-1-sulfonate; (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium
| Molecular Formula | C25H45NO4S |
|---|---|
| Molecular Weight | 455.31 g/mol |
| LogP | 5.05 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 455.30692 |
| Heavy Atoms | 31 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 67603-57-0 |
|---|---|
| SMILES | CCCCS(=O)(=O)[O-].CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O |
| InChIKey | HYYSVXSWFZCCGR-UHFFFAOYSA-M |
Product Overview
RefChem:1067669 (CAS 67603-57-0), with molecular formula C25H45NO4S and molecular weight 455.31 g/mol. IUPAC: butane-1-sulfonate;(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium.
Chemical Property Profile of RefChem:1067669
Property Insights of RefChem:1067669
The XLogP value of 5.05 indicates that RefChem:1067669 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 RefChem:1067669. Following Lipinski's Rule of Five, RefChem:1067669 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1067669?
The CAS number of RefChem:1067669 is 67603-57-0.
What is the molecular formula of RefChem:1067669?
The molecular formula of RefChem:1067669 is C25H45NO4S.
What is the molecular weight of RefChem:1067669?
The molecular weight of RefChem:1067669 is 455.31 g/mol.
Where can I buy RefChem:1067669?
You can request a quote for RefChem:1067669 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1067669?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1067669 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.