4-Phenyl-3-isocoumarinic acid allylamide
TL;DR: 4-Phenyl-3-isocoumarinic acid allylamide (CAS 41571-18-0) is a chemical compound with molecular formula C19H15NO3 and molecular weight 305.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-4-phenyl-N-prop-2-enylisochromene-3-carboxamide
Also Known As: 4-Phenyl-3-isocoumarinic acid allylamide, Cid 6451766, N-Allyl-1-oxo-4-phenyl-1H-isochromene-3-carboxamide, 1-oxo-4-phenyl-N-prop-2-enylisochromene-3-carboxamide, 1-oxo-4-phenyl-N-(prop-2-en-1-yl)-1H-isochromene-3-carboxamide
| Molecular Formula | C19H15NO3 |
|---|---|
| Molecular Weight | 305.11 g/mol |
| LogP | 3.3758 |
| Topological Polar Surface Area | 59.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.1052 |
| Heavy Atoms | 23 |
| Complexity | 926.2476 |
Chemical Identifiers
| CAS Number | 41571-18-0 |
|---|---|
| SMILES | C=CCNC(=O)C1=C(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3 |
Product Overview
4-Phenyl-3-isocoumarinic acid allylamide (CAS 41571-18-0), with molecular formula C19H15NO3 and molecular weight 305.11 g/mol. IUPAC: 1-oxo-4-phenyl-N-prop-2-enylisochromene-3-carboxamide.
Chemical Property Profile of 4-Phenyl-3-isocoumarinic acid allylamide
Property Insights of 4-Phenyl-3-isocoumarinic acid allylamide
The XLogP value of 3.3758 indicates that 4-Phenyl-3-isocoumarinic acid allylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.31 Ų, 4-Phenyl-3-isocoumarinic acid allylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-3-isocoumarinic acid allylamide has 1 hydrogen bond donor(s) and 3 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 4-Phenyl-3-isocoumarinic acid allylamide?
The CAS number of 4-Phenyl-3-isocoumarinic acid allylamide is 41571-18-0.
What is the molecular formula of 4-Phenyl-3-isocoumarinic acid allylamide?
The molecular formula of 4-Phenyl-3-isocoumarinic acid allylamide is C19H15NO3.
What is the molecular weight of 4-Phenyl-3-isocoumarinic acid allylamide?
The molecular weight of 4-Phenyl-3-isocoumarinic acid allylamide is 305.11 g/mol.
Where can I buy 4-Phenyl-3-isocoumarinic acid allylamide?
You can request a quote for 4-Phenyl-3-isocoumarinic acid allylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-3-isocoumarinic acid allylamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-3-isocoumarinic acid allylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.