4-苯基-3-丁烯酸
TL;DR: 4-苯基-3-丁烯酸 (CAS 2243-53-0) 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.
4-苯基-3-丁烯酸
4-phenylbut-3-enoic acid
Also Known As: Styrylacetic acid, 4-phenylbut-3-enoic acid, trans-Styrylacetic acid, 4-Phenyl-3-butenoic acid, carboxymethylstyrene
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.06808 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 2243-53-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CCC(=O)O |
| InChIKey | PSCXFXNEYIHJST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-苯基-3-丁烯酸 (CAS 2243-53-0), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: 4-phenylbut-3-enoic acid.
Chemical Property Profile of 4-苯基-3-丁烯酸
Property Insights of 4-苯基-3-丁烯酸
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-苯基-3-丁烯酸. With a topological polar surface area (TPSA) of 37.3 Ų, 4-苯基-3-丁烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-苯基-3-丁烯酸 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 4-苯基-3-丁烯酸?
The CAS number of 4-苯基-3-丁烯酸 is 2243-53-0.
What is the molecular formula of 4-苯基-3-丁烯酸?
The molecular formula of 4-苯基-3-丁烯酸 is C10H10O2.
What is the molecular weight of 4-苯基-3-丁烯酸?
The molecular weight of 4-苯基-3-丁烯酸 is 162.07 g/mol.
Where can I buy 4-苯基-3-丁烯酸?
You can request a quote for 4-苯基-3-丁烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-苯基-3-丁烯酸?
Yes, KEHONG BIO provides custom synthesis services for 4-苯基-3-丁烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.