惕格酸
TL;DR: 惕格酸 (CAS 19146-57-7) is a chemical compound with molecular formula C/C=C(\C)/C(=O)O and molecular weight 100.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
惕格酸
(E)-2-methylbut-2-enoic acid
Also Known As: TIGLIC ACID, Tiglinic acid, Cevadic acid, (E)-2-Methylbut-2-enoic acid, 2-methylbut-2-enoic acid
| Molecular Formula | C/C=C(\C)/C(=O)O |
|---|---|
| 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 |
| Melting Point | 62.5-64 °C |
| Boiling Point | 198.5 °C at 760 mm Hg, 95.0-96 °C at 11.5 mm Hg |
| Density | 0.972 |
| Solubility | Sparingly soluble in cold water; freely soluble in hot water. Soluble in alcohol, ether. |
| Vapor Pressure | 1.33X10-1 mm Hg at 25 °C |
| Refractive Index | 1.4342 at 81 °C |
Chemical Identifiers
| CAS Number | 19146-57-7 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O |
| InChIKey | UIERETOOQGIECD-ONEGZZNKSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
惕格酸 (CAS 19146-57-7), with molecular formula C/C=C(\C)/C(=O)O and molecular weight 100.05 g/mol. IUPAC: (E)-2-methylbut-2-enoic acid.
Chemical Property Profile of 惕格酸
Property Insights of 惕格酸
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 惕格酸. With a topological polar surface area (TPSA) of 37.3 Ų, 惕格酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 惕格酸 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 惕格酸?
The CAS number of 惕格酸 is 19146-57-7.
What is the molecular formula of 惕格酸?
The molecular formula of 惕格酸 is C/C=C(\C)/C(=O)O.
What is the molecular weight of 惕格酸?
The molecular weight of 惕格酸 is 100.05 g/mol.
Where can I buy 惕格酸?
You can request a quote for 惕格酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 惕格酸?
Yes, KEHONG BIO provides custom synthesis services for 惕格酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.