Butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid
TL;DR: Butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid (CAS 63793-44-2) is a chemical compound with molecular formula C21H36O6 and molecular weight 384.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid
Also Known As: (C11-H20-O2.C7-H12-O2.C3-H4-O2)x-, 2-Propenoic acid, polymer with butyl 2-propenoate and isooctyl 2-propenoate, butyl prop-2-enoate; 6-methylheptyl prop-2-enoate; prop-2-enoic acid
| Molecular Formula | C21H36O6 |
|---|---|
| Molecular Weight | 384.25 g/mol |
| LogP | 4.7047 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 384.2512 |
| Heavy Atoms | 27 |
| Complexity | 426.38776 |
Chemical Identifiers
| CAS Number | 63793-44-2 |
|---|---|
| SMILES | CCCCOC(=O)C=C.CC(C)CCCCCOC(=O)C=C.C=CC(=O)O |
Product Overview
Butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid (CAS 63793-44-2), with molecular formula C21H36O6 and molecular weight 384.25 g/mol. IUPAC: butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid.
Chemical Property Profile of Butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid
Property Insights of Butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid
The XLogP value of 4.7047 indicates that Butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid. Following Lipinski's Rule of Five, Butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid has 1 hydrogen bond donor(s) and 5 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 Butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid?
The CAS number of Butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid is 63793-44-2.
What is the molecular formula of Butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid?
The molecular formula of Butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid is C21H36O6.
What is the molecular weight of Butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid?
The molecular weight of Butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid is 384.25 g/mol.
Where can I buy Butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid?
You can request a quote for Butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for Butyl prop-2-enoate;6-methylheptyl prop-2-enoate;prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.