RefChem:1061928
TL;DR: RefChem:1061928 (CAS 3468-02-8) is a chemical compound with molecular formula C23H24ClNO5 and molecular weight 429.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-morpholin-4-ium-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate chloride
Also Known As: Morpholinoethyl 3-methylflavone-8-carboxylate hydrochloride, 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-morpholinoethyl ester, monohydrochloride, 2-morpholin-4-ium-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate chloride, 2-morpholin-4-ium-4-ylethyl3-methyl-4-oxo-2-phenylchromene-8-carboxylate chloride, 2-(Morpholin-4-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate--hydrogen chloride (1/1)
| Molecular Formula | C23H24ClNO5 |
|---|---|
| Molecular Weight | 429.13 g/mol |
| LogP | -1.16 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.1343 |
| Heavy Atoms | 30 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 3468-02-8 |
|---|---|
| SMILES | CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC[NH+]3CCOCC3)C4=CC=CC=C4.[Cl-] |
| InChIKey | OQENDBITKXIGSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1061928 (CAS 3468-02-8), with molecular formula C23H24ClNO5 and molecular weight 429.13 g/mol. IUPAC: 2-morpholin-4-ium-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate chloride.
Chemical Property Profile of RefChem:1061928
Property Insights of RefChem:1061928
The XLogP value of -1.16 indicates that RefChem:1061928 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1061928. Following Lipinski's Rule of Five, RefChem:1061928 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 RefChem:1061928?
The CAS number of RefChem:1061928 is 3468-02-8.
What is the molecular formula of RefChem:1061928?
The molecular formula of RefChem:1061928 is C23H24ClNO5.
What is the molecular weight of RefChem:1061928?
The molecular weight of RefChem:1061928 is 429.13 g/mol.
Where can I buy RefChem:1061928?
You can request a quote for RefChem:1061928 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061928?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061928 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.