(E)-3-(3-(4-chlorophenyl)acryloyl)-2H-chromen-2-one
TL;DR: (E)-3-(3-(4-chlorophenyl)acryloyl)-2H-chromen-2-one (CAS 140399-52-6) is a chemical compound with molecular formula C18H11ClO3 and molecular weight 310.03967 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]chromen-2-one
Also Known As: 3-(4-Chloro-trans-cinnamoyl)coumarin, (E)-3-(3-(4-chlorophenyl)acryloyl)-2H-chromen-2-one, 3-[3-(4-Chloro-phenyl)-acryloyl]-chromen-2-one, 3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]chromen-2-one, J2.098.377I
Technical Specifications
| Molecular Formula | C18H11ClO3 |
| Molecular Weight | 310.03967 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.03967 Da |
| Heavy Atoms | 22 |
| Complexity | 500.0 |
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)/C=C/C3=CC=C(C=C3)Cl |
| InChIKey | AQJMKKGIANSSEB-JXMROGBWSA-N |
Chemical Property Profile of (E)-3-(3-(4-chlorophenyl)acryloyl)-2H-chromen-2-one
Property Insights of (E)-3-(3-(4-chlorophenyl)acryloyl)-2H-chromen-2-one
The XLogP value of 4.5 indicates that (E)-3-(3-(4-chlorophenyl)acryloyl)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, (E)-3-(3-(4-chlorophenyl)acryloyl)-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(3-(4-chlorophenyl)acryloyl)-2H-chromen-2-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-3-(3-(4-chlorophenyl)acryloyl)-2H-chromen-2-one?
The CAS number of (E)-3-(3-(4-chlorophenyl)acryloyl)-2H-chromen-2-one is 140399-52-6.
What is the molecular formula of (E)-3-(3-(4-chlorophenyl)acryloyl)-2H-chromen-2-one?
The molecular formula of (E)-3-(3-(4-chlorophenyl)acryloyl)-2H-chromen-2-one is C18H11ClO3.
What is the molecular weight of (E)-3-(3-(4-chlorophenyl)acryloyl)-2H-chromen-2-one?
The molecular weight of (E)-3-(3-(4-chlorophenyl)acryloyl)-2H-chromen-2-one is 310.03967 g/mol.
Where can I buy (E)-3-(3-(4-chlorophenyl)acryloyl)-2H-chromen-2-one?
You can request a quote for (E)-3-(3-(4-chlorophenyl)acryloyl)-2H-chromen-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(3-(4-chlorophenyl)acryloyl)-2H-chromen-2-one?
Yes, CoreyChem provides custom synthesis services for (E)-3-(3-(4-chlorophenyl)acryloyl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.