7-Phenylheptane-2,5-dione
TL;DR: 7-Phenylheptane-2,5-dione (CAS 61363-11-9) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-phenylheptane-2,5-dione
Also Known As: 7-phenylheptane-2,5-dione, 7-PHENYL-HEPTANE-2,5-DIONE, 7-phenyl-2,5-heptanedione, 1-phenyl-heptane-3,6-dione, RefChem:311271
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 2.5575 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 327.64902 |
Chemical Identifiers
| CAS Number | 61363-11-9 |
|---|---|
| SMILES | CC(=O)CCC(=O)CCC1=CC=CC=C1 |
Product Overview
7-Phenylheptane-2,5-dione (CAS 61363-11-9), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 7-phenylheptane-2,5-dione.
Chemical Property Profile of 7-Phenylheptane-2,5-dione
Property Insights of 7-Phenylheptane-2,5-dione
The XLogP value of 2.5575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Phenylheptane-2,5-dione. With a topological polar surface area (TPSA) of 34.14 Ų, 7-Phenylheptane-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Phenylheptane-2,5-dione has 0 hydrogen bond donor(s) and 2 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 7-Phenylheptane-2,5-dione?
The CAS number of 7-Phenylheptane-2,5-dione is 61363-11-9.
What is the molecular formula of 7-Phenylheptane-2,5-dione?
The molecular formula of 7-Phenylheptane-2,5-dione is C13H16O2.
What is the molecular weight of 7-Phenylheptane-2,5-dione?
The molecular weight of 7-Phenylheptane-2,5-dione is 204.12 g/mol.
Where can I buy 7-Phenylheptane-2,5-dione?
You can request a quote for 7-Phenylheptane-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Phenylheptane-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Phenylheptane-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.