CTK8J3897
TL;DR: CTK8J3897 (CAS 57061-76-4) is a chemical compound with molecular formula C21H29N3O6 and molecular weight 419.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxy-3,5-dimethoxyphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]prop-2-en-1-one
Also Known As: 4-[[4-[3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPENYL ]PIPERAZINO]ACETYL ]MORPHOLINE
| Molecular Formula | C21H29N3O6 |
|---|---|
| Molecular Weight | 419.21 g/mol |
| LogP | 0.4256 |
| Topological Polar Surface Area | 91.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.20563 |
| Heavy Atoms | 30 |
| Complexity | 757.9415 |
Chemical Identifiers
| CAS Number | 57061-76-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)C=CC(=O)N2CCN(CC2)CC(=O)N3CCOCC3 |
Product Overview
CTK8J3897 (CAS 57061-76-4), with molecular formula C21H29N3O6 and molecular weight 419.21 g/mol. IUPAC: 3-(4-hydroxy-3,5-dimethoxyphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]prop-2-en-1-one.
Chemical Property Profile of CTK8J3897
Property Insights of CTK8J3897
The XLogP value of 0.4256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK8J3897. The TPSA of 91.78 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK8J3897. Following Lipinski's Rule of Five, CTK8J3897 has 1 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 CTK8J3897?
The CAS number of CTK8J3897 is 57061-76-4.
What is the molecular formula of CTK8J3897?
The molecular formula of CTK8J3897 is C21H29N3O6.
What is the molecular weight of CTK8J3897?
The molecular weight of CTK8J3897 is 419.21 g/mol.
Where can I buy CTK8J3897?
You can request a quote for CTK8J3897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8J3897?
Yes, KEHONG BIO provides custom synthesis services for CTK8J3897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.