RefChem:77082
TL;DR: RefChem:77082 (CAS 3663-99-8) is a chemical compound with molecular formula C23H43NO4S2 and molecular weight 461.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-decylsulfanyl-2-hydroxypropyl)-trimethylazanium;4-methylbenzenesulfonate
Also Known As: (3-(Decylthio)-2-hydroxypropyl)trimethylammonium p-toluenesulphonate, [3-2-hydroxypropyl]trimethylammoniump-toluenesulphonate, 1-Propanaminium, 3-(decylthio)-2-hydroxy-N,N,N-trimethyl-, 4-methylbenzenesulfonate (1:1), [3- -2-hydroxypropyl]trimethylammoniump-toluenesulphonate, 1-Propanaminium, 3-(decylthio)-2-hydroxy-N,N,N-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)
| Molecular Formula | C23H43NO4S2 |
|---|---|
| Molecular Weight | 461.26 g/mol |
| LogP | 4.83 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 461.26334 |
| Heavy Atoms | 30 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 3663-99-8 |
|---|---|
| SMILES | CCCCCCCCCCSCC(C[N+](C)(C)C)O.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | KZNJUWRBNCQTPW-UHFFFAOYSA-M |
Product Overview
RefChem:77082 (CAS 3663-99-8), with molecular formula C23H43NO4S2 and molecular weight 461.26 g/mol. IUPAC: (3-decylsulfanyl-2-hydroxypropyl)-trimethylazanium;4-methylbenzenesulfonate.
Chemical Property Profile of RefChem:77082
Property Insights of RefChem:77082
The XLogP value of 4.83 indicates that RefChem:77082 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:77082. Following Lipinski's Rule of Five, RefChem:77082 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 RefChem:77082?
The CAS number of RefChem:77082 is 3663-99-8.
What is the molecular formula of RefChem:77082?
The molecular formula of RefChem:77082 is C23H43NO4S2.
What is the molecular weight of RefChem:77082?
The molecular weight of RefChem:77082 is 461.26 g/mol.
Where can I buy RefChem:77082?
You can request a quote for RefChem:77082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77082?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.