RefChem:1071865
TL;DR: RefChem:1071865 (CAS 3468-08-4) is a chemical compound with molecular formula C24H28ClNO4 and molecular weight 429.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[3-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxypropyl]azanium chloride
Also Known As: REC 1-0473, 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride, diethyl-[3-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxypropyl]azaniumchloride, 4H-1-BENZOPYRAN-8-CARBOXYLIC ACID, 3-METHYL-4-OXO-2-PHENYL-, 3-(DIETHYLAMINO)PRO, diethyl-[3-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxypropyl]azanium chloride
| Molecular Formula | C24H28ClNO4 |
|---|---|
| Molecular Weight | 429.17 g/mol |
| LogP | 0.24 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 429.1707 |
| Heavy Atoms | 30 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 3468-08-4 |
|---|---|
| SMILES | CC[NH+](CC)CCCOC(=O)C1=CC=CC2=C1OC(=C(C2=O)C)C3=CC=CC=C3.[Cl-] |
| InChIKey | QESDLTIZNFEOMN-UHFFFAOYSA-N |
Product Overview
RefChem:1071865 (CAS 3468-08-4), with molecular formula C24H28ClNO4 and molecular weight 429.17 g/mol. IUPAC: diethyl-[3-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxypropyl]azanium chloride.
Chemical Property Profile of RefChem:1071865
Property Insights of RefChem:1071865
The XLogP value of 0.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071865. With a topological polar surface area (TPSA) of 57.0 Ų, RefChem:1071865 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1071865 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:1071865?
The CAS number of RefChem:1071865 is 3468-08-4.
What is the molecular formula of RefChem:1071865?
The molecular formula of RefChem:1071865 is C24H28ClNO4.
What is the molecular weight of RefChem:1071865?
The molecular weight of RefChem:1071865 is 429.17 g/mol.
Where can I buy RefChem:1071865?
You can request a quote for RefChem:1071865 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071865?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071865 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.