当归酸
TL;DR: 当归酸 (CAS 565-63-9) is a chemical compound with molecular formula C5H8O2 and molecular weight 100.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
当归酸
(Z)-2-methylbut-2-enoic acid
Also Known As: Angelic acid, 2-Methylisocrotonic acid, (Z)-2-methylbut-2-enoic acid, Angelicasaeure, Angelikasaeure
| Molecular Formula | C5H8O2 |
|---|---|
| Molecular Weight | 100.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 100.05243 |
| Heavy Atoms | 7 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 565-63-9 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O |
| InChIKey | UIERETOOQGIECD-ARJAWSKDSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
当归酸 (CAS 565-63-9), with molecular formula C5H8O2 and molecular weight 100.05 g/mol. IUPAC: (Z)-2-methylbut-2-enoic acid.
Chemical Property Profile of 当归酸
Property Insights of 当归酸
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 当归酸. With a topological polar surface area (TPSA) of 37.3 Ų, 当归酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 当归酸 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 当归酸?
The CAS number of 当归酸 is 565-63-9.
What is the molecular formula of 当归酸?
The molecular formula of 当归酸 is C5H8O2.
What is the molecular weight of 当归酸?
The molecular weight of 当归酸 is 100.05 g/mol.
Where can I buy 当归酸?
You can request a quote for 当归酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 当归酸?
Yes, KEHONG BIO provides custom synthesis services for 当归酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.