RefChem:77113
TL;DR: RefChem:77113 (CAS 68083-52-3) is a chemical compound with molecular formula C12H28N2O5S and molecular weight 312.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl-dimethyl-[3-(propanoylamino)propyl]azanium;ethyl sulfate
Also Known As: 1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxopropyl)amino]-, ethyl sulfate, 1-Propanaminium, N-ethyl-N,N-dimethyl-3-((1-oxopropyl)amino)-, ethyl sulfate, 1-Propanaminium, N-ethyl-N,N-dimethyl-3-((1-oxopropyl)amino)-, ethyl sulfate (1:1), Ethyldimethyl(3-((1-oxopropyl)amino)propyl)ammonium ethyl sulphate, n-ethyl-n,n-dimethyl-3-(propionylamino)propan-1-aminium ethyl sulfate
| Molecular Formula | C12H28N2O5S |
|---|---|
| Molecular Weight | 312.17 g/mol |
| LogP | 0.48 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.1719 |
| Heavy Atoms | 20 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 68083-52-3 |
|---|---|
| SMILES | CCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-] |
| InChIKey | ATKRYJRIFWSIMN-UHFFFAOYSA-N |
Product Overview
RefChem:77113 (CAS 68083-52-3), with molecular formula C12H28N2O5S and molecular weight 312.17 g/mol. IUPAC: ethyl-dimethyl-[3-(propanoylamino)propyl]azanium;ethyl sulfate.
Chemical Property Profile of RefChem:77113
Property Insights of RefChem:77113
The XLogP value of 0.48 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:77113. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:77113. Following Lipinski's Rule of Five, RefChem:77113 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:77113?
The CAS number of RefChem:77113 is 68083-52-3.
What is the molecular formula of RefChem:77113?
The molecular formula of RefChem:77113 is C12H28N2O5S.
What is the molecular weight of RefChem:77113?
The molecular weight of RefChem:77113 is 312.17 g/mol.
Where can I buy RefChem:77113?
You can request a quote for RefChem:77113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77113?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.