2-benzylpent-4-enoic Acid
TL;DR: 2-benzylpent-4-enoic Acid (CAS 6540-96-1) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylpent-4-enoic acid
Also Known As: 2-benzylpent-4-enoic Acid, 2-benzylpent-4-enoicAcid, 2-Benzyl-4-pentenoic acid, 2-allyl-3-benzenepropanoic acid, alpha-benzyl-alpha-allylacetic acid
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.506 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 303.35757 |
Chemical Identifiers
| CAS Number | 6540-96-1 |
|---|---|
| SMILES | C=CCC(CC1=CC=CC=C1)C(=O)O |
Product Overview
2-benzylpent-4-enoic Acid (CAS 6540-96-1), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 2-benzylpent-4-enoic acid.
Chemical Property Profile of 2-benzylpent-4-enoic Acid
Property Insights of 2-benzylpent-4-enoic Acid
The XLogP value of 2.506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-benzylpent-4-enoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-benzylpent-4-enoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-benzylpent-4-enoic Acid has 1 hydrogen bond donor(s) and 1 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 2-benzylpent-4-enoic Acid?
The CAS number of 2-benzylpent-4-enoic Acid is 6540-96-1.
What is the molecular formula of 2-benzylpent-4-enoic Acid?
The molecular formula of 2-benzylpent-4-enoic Acid is C12H14O2.
What is the molecular weight of 2-benzylpent-4-enoic Acid?
The molecular weight of 2-benzylpent-4-enoic Acid is 190.10 g/mol.
Where can I buy 2-benzylpent-4-enoic Acid?
You can request a quote for 2-benzylpent-4-enoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-benzylpent-4-enoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-benzylpent-4-enoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.