RefChem:77085
TL;DR: RefChem:77085 (CAS 108797-84-8) is a chemical compound with molecular formula C12H27NO6S and molecular weight 313.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-butoxy-2-hydroxypropyl)-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate
Also Known As: Butylether hydroxypropyl sultaine, 1-Propanaminium, 3-butoxy-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, inner salt, 3-[(3-butoxy-2-hydroxypropyl)-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate, 1-Propanaminium,3-butoxy-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, inner salt, 1-Propanaminium, 3-butoxy-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, hydroxide, inner salt
| Molecular Formula | C12H27NO6S |
|---|---|
| Molecular Weight | 313.16 g/mol |
| LogP | -0.8535 |
| Topological Polar Surface Area | 106.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 313.1559 |
| Heavy Atoms | 20 |
| Complexity | 356.95905 |
Chemical Identifiers
| CAS Number | 108797-84-8 |
|---|---|
| SMILES | CCCCOCC(C[N+](C)(C)CC(CS(=O)(=O)[O-])O)O |
Product Overview
RefChem:77085 (CAS 108797-84-8), with molecular formula C12H27NO6S and molecular weight 313.16 g/mol. IUPAC: 3-[(3-butoxy-2-hydroxypropyl)-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate.
Chemical Property Profile of RefChem:77085
Property Insights of RefChem:77085
The XLogP value of -0.8535 indicates that RefChem:77085 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.89 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:77085. Following Lipinski's Rule of Five, RefChem:77085 has 2 hydrogen bond donor(s) and 6 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:77085?
The CAS number of RefChem:77085 is 108797-84-8.
What is the molecular formula of RefChem:77085?
The molecular formula of RefChem:77085 is C12H27NO6S.
What is the molecular weight of RefChem:77085?
The molecular weight of RefChem:77085 is 313.16 g/mol.
Where can I buy RefChem:77085?
You can request a quote for RefChem:77085 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77085?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.