RefChem:167616
TL;DR: RefChem:167616 (CAS 67953-12-2) is a chemical compound with molecular formula C27H57NO9S and molecular weight 571.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]ethanol;propyl 10-sulfooxyoctadecanoate
Also Known As: 6-O-Corynomycoloyltrehalose, Propyl oleate, sulfated, triethanolamine salt, Propyl 10-(sulfooxy)stearate triethanolamine salt, propyl 10-(sulfooxy)octadecanoate- 2,2',2''-nitrilotriethanol(1:1), 2-[bis(2-hydroxyethyl)amino]ethanol; propyl 10-sulfooxyoctadecanoate
| Molecular Formula | C27H57NO9S |
|---|---|
| Molecular Weight | 571.38 g/mol |
| LogP | 4.26 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 27 |
| Exact Mass | 571.3754 |
| Heavy Atoms | 38 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 67953-12-2 |
|---|---|
| SMILES | CCCCCCCCC(CCCCCCCCC(=O)OCCC)OS(=O)(=O)O.C(CO)N(CCO)CCO |
| InChIKey | UNUZXOIEOLPRQZ-UHFFFAOYSA-N |
Product Overview
RefChem:167616 (CAS 67953-12-2), with molecular formula C27H57NO9S and molecular weight 571.38 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;propyl 10-sulfooxyoctadecanoate.
Chemical Property Profile of RefChem:167616
Property Insights of RefChem:167616
The XLogP value of 4.26 indicates that RefChem:167616 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting RefChem:167616 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:167616 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:167616?
The CAS number of RefChem:167616 is 67953-12-2.
What is the molecular formula of RefChem:167616?
The molecular formula of RefChem:167616 is C27H57NO9S.
What is the molecular weight of RefChem:167616?
The molecular weight of RefChem:167616 is 571.38 g/mol.
Where can I buy RefChem:167616?
You can request a quote for RefChem:167616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:167616?
Yes, KEHONG BIO provides custom synthesis services for RefChem:167616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.