惕格酸
TL;DR: 惕格酸 (CAS 80-59-1) is a chemical compound with molecular formula C5H7O2- and molecular weight 99.04 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-enoate
Also Known As: tiglate, TIGLIC ACID, (E)-2-methylbut-2-enoate
| Molecular Formula | C5H7O2- |
|---|---|
| Molecular Weight | 99.04 g/mol |
| LogP | -0.2975 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 99.0446 |
| Heavy Atoms | 7 |
| Complexity | 102.64778 |
Chemical Identifiers
| CAS Number | 80-59-1 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)[O-] |
Product Overview
惕格酸 (CAS 80-59-1), with molecular formula C5H7O2- and molecular weight 99.04 g/mol. IUPAC: (E)-2-methylbut-2-enoate.
Chemical Property Profile of 惕格酸
Property Insights of 惕格酸
The XLogP value of -0.2975 indicates that 惕格酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.13 Ų, 惕格酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 惕格酸 has 0 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 80-59-1.
What is the molecular formula of 惕格酸?
The molecular formula of 惕格酸 is C5H7O2-.
What is the molecular weight of 惕格酸?
The molecular weight of 惕格酸 is 99.04 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.