![2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester structure](/static/products/324/324580-60-1.png)
2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester
TL;DR: 2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester (CAS 324580-60-1) is a chemical compound with molecular formula C18H13N3O5 and molecular weight 351.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-(carbamoylhydrazinylidene)methyl]phenyl] 2-oxochromene-3-carboxylate
Also Known As: 2-ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester, [2-[(E)-(carbamoylhydrazinylidene)methyl]phenyl] 2-oxochromene-3-carboxylate, 2-[(1E)-[(carbamoylamino)imino]methyl]phenyl 2-oxo-2H-chromene-3-carboxylate, o-[(E)-semicarbazidoidenemethyl]phenyl 3-coumarincarboxylate, (E)-2-((2-carbamoylhydrazono)methyl)phenyl 2-oxo-2H-chromene-3-carboxylate
| Molecular Formula | C18H13N3O5 |
|---|---|
| Molecular Weight | 351.09 g/mol |
| LogP | 2.0144 |
| Topological Polar Surface Area | 123.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.0855 |
| Heavy Atoms | 26 |
| Complexity | 1071.6096 |
Chemical Identifiers
| CAS Number | 324580-60-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OC3=CC=CC=C3/C=N/NC(=O)N |
Product Overview
2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester (CAS 324580-60-1), with molecular formula C18H13N3O5 and molecular weight 351.09 g/mol. IUPAC: [2-[(E)-(carbamoylhydrazinylidene)methyl]phenyl] 2-oxochromene-3-carboxylate.
Chemical Property Profile of 2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester
Property Insights of 2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester
The XLogP value of 2.0144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester. The TPSA of 123.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester. Following Lipinski's Rule of Five, 2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester has 2 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 2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester?
The CAS number of 2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester is 324580-60-1.
What is the molecular formula of 2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester?
The molecular formula of 2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester is C18H13N3O5.
What is the molecular weight of 2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester?
The molecular weight of 2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester is 351.09 g/mol.
Where can I buy 2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester?
You can request a quote for 2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Ketochromene-3-carboxylic acid [2-(semicarbazonomethyl)phenyl] ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.