RefChem:168872
TL;DR: RefChem:168872 (CAS 66019-25-8) is a chemical compound with molecular formula C42H83NO7S and molecular weight 745.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl sulfate;heptadecyl 3-ethyl-2-heptadecyl-4,5-dihydro-1,3-oxazol-3-ium-4-carboxylate
Also Known As: 2-Heptadecyloxazoline-4-carboxylic acid, 3-ethyl-, heptadecyl ester, ethosulfate, Oxazolium, 3-ethyl-2-heptadecyl-4-((heptadecyloxy)carbonyl)-4,5-dihydro-, ethyl sulfate, Oxazolium, 3-ethyl-2-heptadecyl-4-((heptadecyloxy)carbonyl)-4,5-dihydro-, ethyl sulfate (1:1), Oxazolium,3-ethyl-2-heptadecyl-4-( -4,5-dihydro-,ethylsulfate, Oxazolium, 3-ethyl-2-heptadecyl-4-[(heptadecyloxy)carbonyl]-4,5-dihydro-, ethyl sulfate
| Molecular Formula | C42H83NO7S |
|---|---|
| Molecular Weight | 745.59 g/mol |
| LogP | 11.9753 |
| Topological Polar Surface Area | 104.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 36 |
| Exact Mass | 745.58905 |
| Heavy Atoms | 51 |
| Complexity | 908.8793 |
Chemical Identifiers
| CAS Number | 66019-25-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=[N+](C(CO1)C(=O)OCCCCCCCCCCCCCCCCC)CC.CCOS(=O)(=O)[O-] |
Product Overview
RefChem:168872 (CAS 66019-25-8), with molecular formula C42H83NO7S and molecular weight 745.59 g/mol. IUPAC: ethyl sulfate;heptadecyl 3-ethyl-2-heptadecyl-4,5-dihydro-1,3-oxazol-3-ium-4-carboxylate.
Chemical Property Profile of RefChem:168872
Property Insights of RefChem:168872
The XLogP value of 11.9753 indicates that RefChem:168872 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.97 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:168872. Following Lipinski's Rule of Five, RefChem:168872 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:168872?
The CAS number of RefChem:168872 is 66019-25-8.
What is the molecular formula of RefChem:168872?
The molecular formula of RefChem:168872 is C42H83NO7S.
What is the molecular weight of RefChem:168872?
The molecular weight of RefChem:168872 is 745.59 g/mol.
Where can I buy RefChem:168872?
You can request a quote for RefChem:168872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:168872?
Yes, KEHONG BIO provides custom synthesis services for RefChem:168872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.