CTK5E8120
TL;DR: CTK5E8120 (CAS 80768-76-9) is a chemical compound with molecular formula C21H39NO6 and molecular weight 401.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
Also Known As: 1-(TERT-BUTYLAMINO)-3-(2-ISOPROPYL-5-METHYLCYCLOHEXYLOXY)PROPAN-2-OL MALEATE, Tertiobutylamino-3 (isopropyl-2 methyl-5 cyclohexyloxy)-1 propanol-2 maleate, Tertiobutylamino-3 (isopropyl-2 methyl-5 cyclohexyloxy)-1 propanol-2 maleate [French], 1-((1,1-Dimethylethyl)amino)-3-((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-2-propanol maleate, 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-, (Z)-2-butenedioate (1:1) (salt)
| Molecular Formula | C21H39NO6 |
|---|---|
| Molecular Weight | 401.28 g/mol |
| LogP | 2.9246 |
| Topological Polar Surface Area | 116.09 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.27774 |
| Heavy Atoms | 28 |
| Complexity | 481.6145 |
Chemical Identifiers
| CAS Number | 80768-76-9 |
|---|---|
| SMILES | CC1CCC(C(C1)OCC(CNC(C)(C)C)O)C(C)C.C(=CC(=O)O)C(=O)O |
Product Overview
CTK5E8120 (CAS 80768-76-9), with molecular formula C21H39NO6 and molecular weight 401.28 g/mol. IUPAC: but-2-enedioic acid;1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol.
Chemical Property Profile of CTK5E8120
Property Insights of CTK5E8120
The XLogP value of 2.9246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK5E8120. The TPSA of 116.09 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5E8120. Following Lipinski's Rule of Five, CTK5E8120 has 4 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 CTK5E8120?
The CAS number of CTK5E8120 is 80768-76-9.
What is the molecular formula of CTK5E8120?
The molecular formula of CTK5E8120 is C21H39NO6.
What is the molecular weight of CTK5E8120?
The molecular weight of CTK5E8120 is 401.28 g/mol.
Where can I buy CTK5E8120?
You can request a quote for CTK5E8120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5E8120?
Yes, KEHONG BIO provides custom synthesis services for CTK5E8120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.