3-Benzoylcoumarin
TL;DR: 3-Benzoylcoumarin (CAS 1846-74-8) is a chemical compound with molecular formula C16H10O3 and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzoylchromen-2-one
Also Known As: 3-Benzoylcoumarin, 3-benzoyl-2H-chromen-2-one, 3-benzoylchromen-2-one, COUMARIN, 3-BENZOYL-, 3-Benzoyl-chromen-2-one
| Molecular Formula | C16H10O3 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.06299 |
| Heavy Atoms | 19 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 1846-74-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3OC2=O |
| InChIKey | LPBMPRKJYKSRLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzoylcoumarin (CAS 1846-74-8), with molecular formula C16H10O3 and molecular weight 250.06 g/mol. IUPAC: 3-benzoylchromen-2-one.
Chemical Property Profile of 3-Benzoylcoumarin
Property Insights of 3-Benzoylcoumarin
The XLogP value of 3.5 indicates that 3-Benzoylcoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Benzoylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzoylcoumarin 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
Frequently Asked Questions
What is the CAS number of 3-Benzoylcoumarin?
The CAS number of 3-Benzoylcoumarin is 1846-74-8.
What is the molecular formula of 3-Benzoylcoumarin?
The molecular formula of 3-Benzoylcoumarin is C16H10O3.
What is the molecular weight of 3-Benzoylcoumarin?
The molecular weight of 3-Benzoylcoumarin is 250.06 g/mol.
Where can I buy 3-Benzoylcoumarin?
You can request a quote for 3-Benzoylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.