1-Phenylbutane-2,3-dione
TL;DR: 1-Phenylbutane-2,3-dione (CAS 38087-02-4) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylbutane-2,3-dione
Also Known As: 1-phenylbutane-2,3-dione, METHYLBENZYLGLYOXAL, 1-phenyl-2,3-butandione, 1-phenyl-2,3-butanedione, 1-phenylbutane-2, 3-dione
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 1.3872 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.06808 |
| Heavy Atoms | 12 |
| Complexity | 287.9667 |
Chemical Identifiers
| CAS Number | 38087-02-4 |
|---|---|
| SMILES | CC(=O)C(=O)CC1=CC=CC=C1 |
Product Overview
1-Phenylbutane-2,3-dione (CAS 38087-02-4), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: 1-phenylbutane-2,3-dione.
Chemical Property Profile of 1-Phenylbutane-2,3-dione
Property Insights of 1-Phenylbutane-2,3-dione
The XLogP value of 1.3872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylbutane-2,3-dione. With a topological polar surface area (TPSA) of 34.14 Ų, 1-Phenylbutane-2,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylbutane-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 1-Phenylbutane-2,3-dione?
The CAS number of 1-Phenylbutane-2,3-dione is 38087-02-4.
What is the molecular formula of 1-Phenylbutane-2,3-dione?
The molecular formula of 1-Phenylbutane-2,3-dione is C10H10O2.
What is the molecular weight of 1-Phenylbutane-2,3-dione?
The molecular weight of 1-Phenylbutane-2,3-dione is 162.07 g/mol.
Where can I buy 1-Phenylbutane-2,3-dione?
You can request a quote for 1-Phenylbutane-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 1-Phenylbutane-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylbutane-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.