4,5-环氧-2-己烯酸
TL;DR: 4,5-环氧-2-己烯酸 (CAS 145374-95-4) is a chemical compound with molecular formula C6H8O3 and molecular weight 128.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-环氧-2-己烯酸
3-(3-methyloxiran-2-yl)prop-2-enoic acid
Also Known As: 4,5-Epoxy-2-hexenoic acid, 3-(3-Methyloxiranyl)-2-propenoic acid, 2-Propenoic acid,3-(3-methyl-2-oxiranyl)-, 2-Propenoic acid, 3-(3-methyloxiranyl)-, 5-18-06-00063 (Beilstein Handbook Reference)
| Molecular Formula | C6H8O3 |
|---|---|
| Molecular Weight | 128.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.04735 |
| Heavy Atoms | 9 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 145374-95-4 |
|---|---|
| SMILES | CC1C(O1)C=CC(=O)O |
| InChIKey | BCLFGOVHRPDSPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-环氧-2-己烯酸 (CAS 145374-95-4), with molecular formula C6H8O3 and molecular weight 128.05 g/mol. IUPAC: 3-(3-methyloxiran-2-yl)prop-2-enoic acid.
Chemical Property Profile of 4,5-环氧-2-己烯酸
Property Insights of 4,5-环氧-2-己烯酸
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-环氧-2-己烯酸. With a topological polar surface area (TPSA) of 49.8 Ų, 4,5-环氧-2-己烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-环氧-2-己烯酸 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 4,5-环氧-2-己烯酸?
The CAS number of 4,5-环氧-2-己烯酸 is 145374-95-4.
What is the molecular formula of 4,5-环氧-2-己烯酸?
The molecular formula of 4,5-环氧-2-己烯酸 is C6H8O3.
What is the molecular weight of 4,5-环氧-2-己烯酸?
The molecular weight of 4,5-环氧-2-己烯酸 is 128.05 g/mol.
Where can I buy 4,5-环氧-2-己烯酸?
You can request a quote for 4,5-环氧-2-己烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-环氧-2-己烯酸?
Yes, KEHONG BIO provides custom synthesis services for 4,5-环氧-2-己烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.