CTK9A1418
TL;DR: CTK9A1418 (CAS 69448-97-1) is a chemical compound with molecular formula C16H14O8 and molecular weight 334.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-hydroxy-3-(1-hydroxy-3-oxobut-1-enyl)-7-methoxy-4-oxochromene-5-carboxylate
Also Known As: 8-Hydroxy-3-(1-hydroxy-3-oxo-1-butenyl)-7-methoxy-4-oxo-4H-1-benzopyran-5-carboxylic acid methyl ester
| Molecular Formula | C16H14O8 |
|---|---|
| Molecular Weight | 334.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.06888 |
| Heavy Atoms | 24 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 69448-97-1 |
|---|---|
| SMILES | CC(=O)C=C(C1=COC2=C(C1=O)C(=CC(=C2O)OC)C(=O)OC)O |
| InChIKey | BFEBUAKVHSKRTL-UHFFFAOYSA-N |
Product Overview
CTK9A1418 (CAS 69448-97-1), with molecular formula C16H14O8 and molecular weight 334.07 g/mol. IUPAC: methyl 8-hydroxy-3-(1-hydroxy-3-oxobut-1-enyl)-7-methoxy-4-oxochromene-5-carboxylate.
Chemical Property Profile of CTK9A1418
Property Insights of CTK9A1418
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK9A1418. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK9A1418. Following Lipinski's Rule of Five, CTK9A1418 has 2 hydrogen bond donor(s) and 8 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 CTK9A1418?
The CAS number of CTK9A1418 is 69448-97-1.
What is the molecular formula of CTK9A1418?
The molecular formula of CTK9A1418 is C16H14O8.
What is the molecular weight of CTK9A1418?
The molecular weight of CTK9A1418 is 334.07 g/mol.
Where can I buy CTK9A1418?
You can request a quote for CTK9A1418 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK9A1418?
Yes, KEHONG BIO provides custom synthesis services for CTK9A1418 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.