CTK1H1492
TL;DR: CTK1H1492 (CAS 57061-75-3) is a chemical compound with molecular formula C21H29N3O5 and molecular weight 403.21 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-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
Also Known As: 1-[3-1-oxo-2-propenyl]-4-[carbonylmethyl]piperazine, Piperazine, 1-(3,5-dimethoxy-4-hydroxycinnamoyl)-4-pyrrolidinocarbonylmethyl-, 1-[3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-1-OXO-2-PROPENYL ]-4-[(1-PYRROLIDINYL)CARBONYLMETHYL ]PIPERAZINE
| Molecular Formula | C21H29N3O5 |
|---|---|
| Molecular Weight | 403.21 g/mol |
| LogP | 1.1892 |
| Topological Polar Surface Area | 82.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.21072 |
| Heavy Atoms | 29 |
| Complexity | 740.5752 |
Chemical Identifiers
| CAS Number | 57061-75-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)C=CC(=O)N2CCN(CC2)CC(=O)N3CCCC3 |
Product Overview
CTK1H1492 (CAS 57061-75-3), with molecular formula C21H29N3O5 and molecular weight 403.21 g/mol. IUPAC: 3-(4-hydroxy-3,5-dimethoxyphenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one.
Chemical Property Profile of CTK1H1492
Property Insights of CTK1H1492
The XLogP value of 1.1892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK1H1492. The TPSA of 82.55 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK1H1492. Following Lipinski's Rule of Five, CTK1H1492 has 1 hydrogen bond donor(s) and 6 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 CTK1H1492?
The CAS number of CTK1H1492 is 57061-75-3.
What is the molecular formula of CTK1H1492?
The molecular formula of CTK1H1492 is C21H29N3O5.
What is the molecular weight of CTK1H1492?
The molecular weight of CTK1H1492 is 403.21 g/mol.
Where can I buy CTK1H1492?
You can request a quote for CTK1H1492 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK1H1492?
Yes, KEHONG BIO provides custom synthesis services for CTK1H1492 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.