NIOSH/KH2580000
TL;DR: NIOSH/KH2580000 (CAS 55077-27-5) is a chemical compound with molecular formula C17H27NO7S and molecular weight 389.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium;4-methylbenzenesulfonate
Also Known As: NIOSH/KH2580000, 2-(2-(Acetyloxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate, Ethanaminium, 2-(2-(acetyloxy)-1-oxopropoxy)-N,N,N-trimethyl-, 4-methylbenzenesulfonate, Acetoxy-methylacetic acid trimethylammoniumethyl ester toluene-4-sulfonate, Ethanaminium, 2-(2-(acetyloxy)-1-oxopropoxy)-N,N,N-trimethyl-, p-toluenesulfonate
| Molecular Formula | C17H27NO7S |
|---|---|
| Molecular Weight | 389.15 g/mol |
| LogP | 1.08652 |
| Topological Polar Surface Area | 109.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.15082 |
| Heavy Atoms | 26 |
| Complexity | 690.8167 |
Chemical Identifiers
| CAS Number | 55077-27-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C(=O)OCC[N+](C)(C)C)OC(=O)C |
Product Overview
NIOSH/KH2580000 (CAS 55077-27-5), with molecular formula C17H27NO7S and molecular weight 389.15 g/mol. IUPAC: 2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium;4-methylbenzenesulfonate.
Chemical Property Profile of NIOSH/KH2580000
Property Insights of NIOSH/KH2580000
The XLogP value of 1.08652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NIOSH/KH2580000. The TPSA of 109.8 Ų falls within the moderate polarity range, balancing permeability and solubility for NIOSH/KH2580000. Following Lipinski's Rule of Five, NIOSH/KH2580000 has 0 hydrogen bond donor(s) and 7 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 NIOSH/KH2580000?
The CAS number of NIOSH/KH2580000 is 55077-27-5.
What is the molecular formula of NIOSH/KH2580000?
The molecular formula of NIOSH/KH2580000 is C17H27NO7S.
What is the molecular weight of NIOSH/KH2580000?
The molecular weight of NIOSH/KH2580000 is 389.15 g/mol.
Where can I buy NIOSH/KH2580000?
You can request a quote for NIOSH/KH2580000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NIOSH/KH2580000?
Yes, KEHONG BIO provides custom synthesis services for NIOSH/KH2580000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.