Crotonic acid, 3-benzyl-
TL;DR: Crotonic acid, 3-benzyl- (CAS 75321-73-2) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-methyl-4-phenylbut-2-enoic acid
Also Known As: 3-Benzylcrotonic acid, Benzalbutyric acid, CROTONIC ACID, 3-BENZYL-, (Z)-3-Benzyl-2-butenoic acid, (Z)-3-methyl-4-phenylbut-2-enoic acid
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.26 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 312.12198 |
Chemical Identifiers
| CAS Number | 75321-73-2 |
|---|---|
| SMILES | C/C(=C/C(=O)O)/CC1=CC=CC=C1 |
Product Overview
Crotonic acid, 3-benzyl- (CAS 75321-73-2), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: (Z)-3-methyl-4-phenylbut-2-enoic acid.
Chemical Property Profile of Crotonic acid, 3-benzyl-
Property Insights of Crotonic acid, 3-benzyl-
The XLogP value of 2.26 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crotonic acid, 3-benzyl-. With a topological polar surface area (TPSA) of 37.3 Ų, Crotonic acid, 3-benzyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crotonic acid, 3-benzyl- 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 Crotonic acid, 3-benzyl-?
The CAS number of Crotonic acid, 3-benzyl- is 75321-73-2.
What is the molecular formula of Crotonic acid, 3-benzyl-?
The molecular formula of Crotonic acid, 3-benzyl- is C11H12O2.
What is the molecular weight of Crotonic acid, 3-benzyl-?
The molecular weight of Crotonic acid, 3-benzyl- is 176.08 g/mol.
Where can I buy Crotonic acid, 3-benzyl-?
You can request a quote for Crotonic acid, 3-benzyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonic acid, 3-benzyl-?
Yes, KEHONG BIO provides custom synthesis services for Crotonic acid, 3-benzyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.