(3Z)-3-benzylidene-4-oxopentanoic acid
TL;DR: (3Z)-3-benzylidene-4-oxopentanoic acid (CAS 83144-03-0) 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.
(3Z)-3-benzylidene-4-oxopentanoic acid
Also Known As: LEVULINIC ACID, 3-BENZYLIDENYL-, (3Z)-3-benzylidene-4-oxopentanoic acid, Levulinic acid, 3-benzylidenyl-, SPECTRUM1504009, 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 | 83144-03-0 |
|---|---|
| SMILES | CC(=O)/C(=C\C1=CC=CC=C1)/CC(=O)O |
Product Overview
(3Z)-3-benzylidene-4-oxopentanoic acid (CAS 83144-03-0), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: (3Z)-3-benzylidene-4-oxopentanoic acid.
Chemical Property Profile of (3Z)-3-benzylidene-4-oxopentanoic acid
Property Insights of (3Z)-3-benzylidene-4-oxopentanoic acid
The XLogP value of 2.1337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3Z)-3-benzylidene-4-oxopentanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, (3Z)-3-benzylidene-4-oxopentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3Z)-3-benzylidene-4-oxopentanoic acid 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 (3Z)-3-benzylidene-4-oxopentanoic acid?
The CAS number of (3Z)-3-benzylidene-4-oxopentanoic acid is 83144-03-0.
What is the molecular formula of (3Z)-3-benzylidene-4-oxopentanoic acid?
The molecular formula of (3Z)-3-benzylidene-4-oxopentanoic acid is C12H12O3.
What is the molecular weight of (3Z)-3-benzylidene-4-oxopentanoic acid?
The molecular weight of (3Z)-3-benzylidene-4-oxopentanoic acid is 204.08 g/mol.
Where can I buy (3Z)-3-benzylidene-4-oxopentanoic acid?
You can request a quote for (3Z)-3-benzylidene-4-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z)-3-benzylidene-4-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-3-benzylidene-4-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.