C21H39N3O3S
TL;DR: C21H39N3O3S (CAS 145939-08-8) is a chemical compound with molecular formula C21H39N3O3S and molecular weight 413.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,3-N-diethoxy-2-[(E)-N-ethoxy-C-propylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-diimine
Also Known As: (1E,3E)-2-((E)-1-(ethoxyimino)butyl)-5-(2-(ethylthio)propyl)cyclohexane-1,3-dione O,O-diethyl dioxime, N,N'-diethoxy-2-(N-ethoxy-C-propyl-carbonimidoyl)-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-diimine
| Molecular Formula | C21H39N3O3S |
|---|---|
| Molecular Weight | 413.27 g/mol |
| LogP | 5.5219 |
| Topological Polar Surface Area | 64.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 413.2712 |
| Heavy Atoms | 28 |
| Complexity | 497.0252 |
Chemical Identifiers
| CAS Number | 145939-08-8 |
|---|---|
| SMILES | CCC/C(=N\OCC)/C\1/C(=N/OCC)/CC(C/C1=N\OCC)CC(SCC)C |
Product Overview
C21H39N3O3S (CAS 145939-08-8), with molecular formula C21H39N3O3S and molecular weight 413.27 g/mol. IUPAC: 1-N,3-N-diethoxy-2-[(E)-N-ethoxy-C-propylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-diimine.
Chemical Property Profile of C21H39N3O3S
Property Insights of C21H39N3O3S
The XLogP value of 5.5219 indicates that C21H39N3O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.77 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H39N3O3S. Following Lipinski's Rule of Five, C21H39N3O3S 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 C21H39N3O3S?
The CAS number of C21H39N3O3S is 145939-08-8.
What is the molecular formula of C21H39N3O3S?
The molecular formula of C21H39N3O3S is C21H39N3O3S.
What is the molecular weight of C21H39N3O3S?
The molecular weight of C21H39N3O3S is 413.27 g/mol.
Where can I buy C21H39N3O3S?
You can request a quote for C21H39N3O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H39N3O3S?
Yes, KEHONG BIO provides custom synthesis services for C21H39N3O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.