Pentanoic acid, 4-oxo-3-(phenylmethylene)-
TL;DR: Pentanoic acid, 4-oxo-3-(phenylmethylene)- (CAS 26717-32-8) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylidene-4-oxopentanoic acid
Also Known As: ss-Benzallavulinsaure, Spectrum2_001619, Spectrum3_000984, Spectrum4_001110, KBio3_001867
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.1337 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 390.58807 |
Chemical Identifiers
| CAS Number | 26717-32-8 |
|---|---|
| SMILES | CC(=O)C(=CC1=CC=CC=C1)CC(=O)O |
Product Overview
Pentanoic acid, 4-oxo-3-(phenylmethylene)- (CAS 26717-32-8), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 3-benzylidene-4-oxopentanoic acid.
Chemical Property Profile of Pentanoic acid, 4-oxo-3-(phenylmethylene)-
Property Insights of Pentanoic acid, 4-oxo-3-(phenylmethylene)-
The XLogP value of 2.1337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanoic acid, 4-oxo-3-(phenylmethylene)-. With a topological polar surface area (TPSA) of 54.37 Ų, Pentanoic acid, 4-oxo-3-(phenylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 4-oxo-3-(phenylmethylene)- has 1 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 Pentanoic acid, 4-oxo-3-(phenylmethylene)-?
The CAS number of Pentanoic acid, 4-oxo-3-(phenylmethylene)- is 26717-32-8.
What is the molecular formula of Pentanoic acid, 4-oxo-3-(phenylmethylene)-?
The molecular formula of Pentanoic acid, 4-oxo-3-(phenylmethylene)- is C12H12O3.
What is the molecular weight of Pentanoic acid, 4-oxo-3-(phenylmethylene)-?
The molecular weight of Pentanoic acid, 4-oxo-3-(phenylmethylene)- is 204.08 g/mol.
Where can I buy Pentanoic acid, 4-oxo-3-(phenylmethylene)-?
You can request a quote for Pentanoic acid, 4-oxo-3-(phenylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic acid, 4-oxo-3-(phenylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 4-oxo-3-(phenylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.