6-Methylheptyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid
TL;DR: 6-Methylheptyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid (CAS 63793-45-3) is a chemical compound with molecular formula C17H27NO4 and molecular weight 309.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid
Also Known As: (C11-H20-O2.C3-H4-O2.C3-H3-N)x-, Propenenitrile, isooctyl 2-propenoate, 2-propenoic acid polymer, 6-methylheptyl prop-2-enoate; prop-2-enenitrile; prop-2-enoic acid, 2-Propenoic acid, polymer with isooctyl 2-propenoate and 2-propenenitrile
| Molecular Formula | C17H27NO4 |
|---|---|
| Molecular Weight | 309.19 g/mol |
| LogP | 3.88498 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 309.194 |
| Heavy Atoms | 22 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 63793-45-3 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)C=C.C=CC#N.C=CC(=O)O |
| InChIKey | ZOVRIKGWLHYDJG-UHFFFAOYSA-N |
Product Overview
6-Methylheptyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid (CAS 63793-45-3), with molecular formula C17H27NO4 and molecular weight 309.19 g/mol. IUPAC: 6-methylheptyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid.
Chemical Property Profile of 6-Methylheptyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid
Property Insights of 6-Methylheptyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid
The XLogP value of 3.88498 indicates that 6-Methylheptyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methylheptyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid. Following Lipinski's Rule of Five, 6-Methylheptyl prop-2-enoate;prop-2-enenitrile;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 6-Methylheptyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid?
The CAS number of 6-Methylheptyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid is 63793-45-3.
What is the molecular formula of 6-Methylheptyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid?
The molecular formula of 6-Methylheptyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid is C17H27NO4.
What is the molecular weight of 6-Methylheptyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid?
The molecular weight of 6-Methylheptyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid is 309.19 g/mol.
Where can I buy 6-Methylheptyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid?
You can request a quote for 6-Methylheptyl prop-2-enoate;prop-2-enenitrile;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 6-Methylheptyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Methylheptyl prop-2-enoate;prop-2-enenitrile;prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.