RefChem:297428
TL;DR: RefChem:297428 (CAS 3468-06-2) is a chemical compound with molecular formula C25H30ClNO4 and molecular weight 443.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl-di(propan-2-yl)azanium chloride
Also Known As: REC 1-0469, Diisopropylamino 3-methylflavone-8-carboxylate hydrochloride, 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(diisopropylamino)ethyl ester, hydrochloride, 2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl-di(propan-2-yl)azanium chloride
| Molecular Formula | C25H30ClNO4 |
|---|---|
| Molecular Weight | 443.19 g/mol |
| LogP | 0.63 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.18634 |
| Heavy Atoms | 31 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 3468-06-2 |
|---|---|
| SMILES | CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC[NH+](C(C)C)C(C)C)C3=CC=CC=C3.[Cl-] |
| InChIKey | HYKZXMGTMGDQHL-UHFFFAOYSA-N |
Product Overview
RefChem:297428 (CAS 3468-06-2), with molecular formula C25H30ClNO4 and molecular weight 443.19 g/mol. IUPAC: 2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl-di(propan-2-yl)azanium chloride.
Chemical Property Profile of RefChem:297428
Property Insights of RefChem:297428
The XLogP value of 0.63 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:297428. With a topological polar surface area (TPSA) of 57.0 Ų, RefChem:297428 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:297428 has 1 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 RefChem:297428?
The CAS number of RefChem:297428 is 3468-06-2.
What is the molecular formula of RefChem:297428?
The molecular formula of RefChem:297428 is C25H30ClNO4.
What is the molecular weight of RefChem:297428?
The molecular weight of RefChem:297428 is 443.19 g/mol.
Where can I buy RefChem:297428?
You can request a quote for RefChem:297428 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:297428?
Yes, KEHONG BIO provides custom synthesis services for RefChem:297428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.