Coumarin deriv
TL;DR: Coumarin deriv (CAS 53771-63-4) is a chemical compound with molecular formula C19H18O5 and molecular weight 326.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one
Also Known As: COUMARIN DERIV, Capnolactone, MEGxp0_000087, ACon1_000164, 7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one
| Molecular Formula | C19H18O5 |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | 3.3799 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.11542 |
| Heavy Atoms | 24 |
| Complexity | 888.01044 |
Chemical Identifiers
| CAS Number | 53771-63-4 |
|---|---|
| SMILES | CC1=CC(OC1=O)C/C(=C/COC2=CC3=C(C=C2)C=CC(=O)O3)/C |
Product Overview
Coumarin deriv (CAS 53771-63-4), with molecular formula C19H18O5 and molecular weight 326.12 g/mol. IUPAC: 7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one.
Chemical Property Profile of Coumarin deriv
Property Insights of Coumarin deriv
The XLogP value of 3.3799 indicates that Coumarin deriv is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin deriv. Following Lipinski's Rule of Five, Coumarin deriv has 0 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 Coumarin deriv?
The CAS number of Coumarin deriv is 53771-63-4.
What is the molecular formula of Coumarin deriv?
The molecular formula of Coumarin deriv is C19H18O5.
What is the molecular weight of Coumarin deriv?
The molecular weight of Coumarin deriv is 326.12 g/mol.
Where can I buy Coumarin deriv?
You can request a quote for Coumarin deriv directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin deriv?
Yes, KEHONG BIO provides custom synthesis services for Coumarin deriv and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.