RefChem:1061826
TL;DR: RefChem:1061826 (CAS 3468-05-1) 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-dipropylazanium chloride
Also Known As: Dipropylaminoethyl 3-methylflavone-8-carboxylate hydrochloride, 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(dipropylamino)ethyl ester, hydrochloride, 2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl-dipropylazanium chloride, 2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl-dipropylazaniumchloride, 2-(Dipropylamino)ethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate--hydrogen chloride (1/1)
| 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 | 10 |
| Exact Mass | 443.18634 |
| Heavy Atoms | 31 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 3468-05-1 |
|---|---|
| SMILES | CCC[NH+](CCC)CCOC(=O)C1=CC=CC2=C1OC(=C(C2=O)C)C3=CC=CC=C3.[Cl-] |
| InChIKey | MAWACQRSRPBAHL-UHFFFAOYSA-N |
Product Overview
RefChem:1061826 (CAS 3468-05-1), with molecular formula C25H30ClNO4 and molecular weight 443.19 g/mol. IUPAC: 2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl-dipropylazanium chloride.
Chemical Property Profile of RefChem:1061826
Property Insights of RefChem:1061826
The XLogP value of 0.63 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1061826. With a topological polar surface area (TPSA) of 57.0 Ų, RefChem:1061826 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061826 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:1061826?
The CAS number of RefChem:1061826 is 3468-05-1.
What is the molecular formula of RefChem:1061826?
The molecular formula of RefChem:1061826 is C25H30ClNO4.
What is the molecular weight of RefChem:1061826?
The molecular weight of RefChem:1061826 is 443.19 g/mol.
Where can I buy RefChem:1061826?
You can request a quote for RefChem:1061826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061826?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.