3-(4-烯丙氧基苯基)丙-2-烯酸
TL;DR: 3-(4-烯丙氧基苯基)丙-2-烯酸 (CAS 59953-93-4) 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-(4-烯丙氧基苯基)丙-2-烯酸
3-(4-prop-2-enoxyphenyl)prop-2-enoic acid
Also Known As: 3-[4-(allyloxy)phenyl]acrylic acid, (2E)-3-[4-(allyloxy)phenyl]acrylic acid, 3-(4-allyloxyphenyl)prop-2-enoic acid, 3-(4-prop-2-enoxyphenyl)prop-2-enoic Acid, (E)-3-(4-(Allyloxy)phenyl)acrylic acid
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 59953-93-4 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)C=CC(=O)O |
| InChIKey | BDQXWLNXUBMIEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-烯丙氧基苯基)丙-2-烯酸 (CAS 59953-93-4), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 3-(4-prop-2-enoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(4-烯丙氧基苯基)丙-2-烯酸
Property Insights of 3-(4-烯丙氧基苯基)丙-2-烯酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-烯丙氧基苯基)丙-2-烯酸. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(4-烯丙氧基苯基)丙-2-烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-烯丙氧基苯基)丙-2-烯酸 has 1 hydrogen bond donor(s) and 3 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 3-(4-烯丙氧基苯基)丙-2-烯酸?
The CAS number of 3-(4-烯丙氧基苯基)丙-2-烯酸 is 59953-93-4.
What is the molecular formula of 3-(4-烯丙氧基苯基)丙-2-烯酸?
The molecular formula of 3-(4-烯丙氧基苯基)丙-2-烯酸 is C12H12O3.
What is the molecular weight of 3-(4-烯丙氧基苯基)丙-2-烯酸?
The molecular weight of 3-(4-烯丙氧基苯基)丙-2-烯酸 is 204.08 g/mol.
Where can I buy 3-(4-烯丙氧基苯基)丙-2-烯酸?
You can request a quote for 3-(4-烯丙氧基苯基)丙-2-烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-烯丙氧基苯基)丙-2-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-烯丙氧基苯基)丙-2-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.