Isomyristicin
TL;DR: Isomyristicin (CAS 487-62-7) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole
Also Known As: Isomyristicin, Trans-isomyristicin, propantheline, Neometantyl, Neopepulsan
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.457 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 369.04056 |
Chemical Identifiers
| CAS Number | 487-62-7 |
|---|---|
| SMILES | C/C=C/C1=CC2=C(C(=C1)OC)OCO2 |
Product Overview
Isomyristicin (CAS 487-62-7), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole.
Chemical Property Profile of Isomyristicin
Property Insights of Isomyristicin
The XLogP value of 2.457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isomyristicin. With a topological polar surface area (TPSA) of 27.69 Ų, Isomyristicin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isomyristicin has 0 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 Isomyristicin?
The CAS number of Isomyristicin is 487-62-7.
What is the molecular formula of Isomyristicin?
The molecular formula of Isomyristicin is C11H12O3.
What is the molecular weight of Isomyristicin?
The molecular weight of Isomyristicin is 192.08 g/mol.
Where can I buy Isomyristicin?
You can request a quote for Isomyristicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomyristicin?
Yes, KEHONG BIO provides custom synthesis services for Isomyristicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.