西瓜酮
TL;DR: 西瓜酮 (CAS 28940-11-6) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
西瓜酮
7-methyl-1,5-benzodioxepin-3-one
Also Known As: Watermelon ketone, calone, methyl benzodioxepinone, WatermelonKetone, Calone 1951
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 28940-11-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OCC(=O)CO2 |
| InChIKey | SWUIQEBPZIHZQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
西瓜酮 (CAS 28940-11-6), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 7-methyl-1,5-benzodioxepin-3-one.
Chemical Property Profile of 西瓜酮
Property Insights of 西瓜酮
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 西瓜酮. With a topological polar surface area (TPSA) of 35.5 Ų, 西瓜酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 西瓜酮 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 西瓜酮?
The CAS number of 西瓜酮 is 28940-11-6.
What is the molecular formula of 西瓜酮?
The molecular formula of 西瓜酮 is C10H10O3.
What is the molecular weight of 西瓜酮?
The molecular weight of 西瓜酮 is 178.06 g/mol.
Where can I buy 西瓜酮?
You can request a quote for 西瓜酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 西瓜酮?
Yes, KEHONG BIO provides custom synthesis services for 西瓜酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.