5-Phenylpent-4-yne-2,3-dione
TL;DR: 5-Phenylpent-4-yne-2,3-dione (CAS 21772-15-6) is a chemical compound with molecular formula C11H8O2 and molecular weight 172.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenylpent-4-yne-2,3-dione
Also Known As: 5-phenylpent-4-yne-2,3-dione, 1-Phenyl-1-pentyne-3,4-dione, 5-Phenyl-4-pentyne-2,3-dione
| Molecular Formula | C11H8O2 |
|---|---|
| Molecular Weight | 172.05 g/mol |
| LogP | 1.1962 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.05243 |
| Heavy Atoms | 13 |
| Complexity | 379.54645 |
Chemical Identifiers
| CAS Number | 21772-15-6 |
|---|---|
| SMILES | CC(=O)C(=O)C#CC1=CC=CC=C1 |
Product Overview
5-Phenylpent-4-yne-2,3-dione (CAS 21772-15-6), with molecular formula C11H8O2 and molecular weight 172.05 g/mol. IUPAC: 5-phenylpent-4-yne-2,3-dione.
Chemical Property Profile of 5-Phenylpent-4-yne-2,3-dione
Property Insights of 5-Phenylpent-4-yne-2,3-dione
The XLogP value of 1.1962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenylpent-4-yne-2,3-dione. With a topological polar surface area (TPSA) of 34.14 Ų, 5-Phenylpent-4-yne-2,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenylpent-4-yne-2,3-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 5-Phenylpent-4-yne-2,3-dione?
The CAS number of 5-Phenylpent-4-yne-2,3-dione is 21772-15-6.
What is the molecular formula of 5-Phenylpent-4-yne-2,3-dione?
The molecular formula of 5-Phenylpent-4-yne-2,3-dione is C11H8O2.
What is the molecular weight of 5-Phenylpent-4-yne-2,3-dione?
The molecular weight of 5-Phenylpent-4-yne-2,3-dione is 172.05 g/mol.
Where can I buy 5-Phenylpent-4-yne-2,3-dione?
You can request a quote for 5-Phenylpent-4-yne-2,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenylpent-4-yne-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenylpent-4-yne-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.