RefChem:1071864
TL;DR: RefChem:1071864 (CAS 3468-03-9) is a chemical compound with molecular formula C21H22ClNO4 and molecular weight 387.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride
Also Known As: REC 1-0269, Dimethylaminoethyl 3-methylflavone-8-carboxylate hydrochloride, 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(dimethylamino)ethyl ester, hydrochloride, dimethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azaniumchloride, 2-(Dimethylamino)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride
| Molecular Formula | C21H22ClNO4 |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | -0.93 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.12375 |
| Heavy Atoms | 27 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 3468-03-9 |
|---|---|
| SMILES | CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC[NH+](C)C)C3=CC=CC=C3.[Cl-] |
| InChIKey | QFJMLRAUJHSEOY-UHFFFAOYSA-N |
Product Overview
RefChem:1071864 (CAS 3468-03-9), with molecular formula C21H22ClNO4 and molecular weight 387.12 g/mol. IUPAC: dimethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride.
Chemical Property Profile of RefChem:1071864
Property Insights of RefChem:1071864
The XLogP value of -0.93 indicates that RefChem:1071864 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.0 Ų, RefChem:1071864 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1071864 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:1071864?
The CAS number of RefChem:1071864 is 3468-03-9.
What is the molecular formula of RefChem:1071864?
The molecular formula of RefChem:1071864 is C21H22ClNO4.
What is the molecular weight of RefChem:1071864?
The molecular weight of RefChem:1071864 is 387.12 g/mol.
Where can I buy RefChem:1071864?
You can request a quote for RefChem:1071864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071864?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.