CTK5A6897
TL;DR: CTK5A6897 (CAS 5746-34-9) is a chemical compound with molecular formula C23H22N4O4 and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(3,4-dimethoxyphenyl)-3-oxo-3-[2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
Also Known As: N-[(E)-2-(3,4-DIMETHOXYPHENYL)-1-[[[(Z)-PYRROL-2-YLIDENEMETHYL]AMINO]CARBAMOYL]VINYL]BENZAMIDE
| Molecular Formula | C23H22N4O4 |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 2.9531 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.1641 |
| Heavy Atoms | 31 |
| Complexity | 1090.0289 |
Chemical Identifiers
| CAS Number | 5746-34-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=C(C(=O)NN=CC2=CC=CN2)NC(=O)C3=CC=CC=C3)OC |
Product Overview
CTK5A6897 (CAS 5746-34-9), with molecular formula C23H22N4O4 and molecular weight 418.16 g/mol. IUPAC: N-[1-(3,4-dimethoxyphenyl)-3-oxo-3-[2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide.
Chemical Property Profile of CTK5A6897
Property Insights of CTK5A6897
The XLogP value of 2.9531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK5A6897. The TPSA of 104.81 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5A6897. Following Lipinski's Rule of Five, CTK5A6897 has 3 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 CTK5A6897?
The CAS number of CTK5A6897 is 5746-34-9.
What is the molecular formula of CTK5A6897?
The molecular formula of CTK5A6897 is C23H22N4O4.
What is the molecular weight of CTK5A6897?
The molecular weight of CTK5A6897 is 418.16 g/mol.
Where can I buy CTK5A6897?
You can request a quote for CTK5A6897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5A6897?
Yes, KEHONG BIO provides custom synthesis services for CTK5A6897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.