Isoelemicin
TL;DR: Isoelemicin (CAS 5273-85-8) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trimethoxy-5-prop-1-enylbenzene
Also Known As: Isoelemicin, 1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene, 1,2,3-trimethoxy-5-prop-1-enylbenzene, 1,2,3-trimethoxy-5-(1-propenyl)benzene, Benzene,1,2,3-trimethoxy-5-(1-propen-1-yl)-
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 5273-85-8 |
|---|---|
| SMILES | CC=CC1=CC(=C(C(=C1)OC)OC)OC |
| InChIKey | RRXOQHQFJOQLQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoelemicin (CAS 5273-85-8), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 1,2,3-trimethoxy-5-prop-1-enylbenzene.
Chemical Property Profile of Isoelemicin
Property Insights of Isoelemicin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoelemicin. With a topological polar surface area (TPSA) of 27.7 Ų, Isoelemicin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoelemicin 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 Isoelemicin?
The CAS number of Isoelemicin is 5273-85-8.
What is the molecular formula of Isoelemicin?
The molecular formula of Isoelemicin is C12H16O3.
What is the molecular weight of Isoelemicin?
The molecular weight of Isoelemicin is 208.11 g/mol.
Where can I buy Isoelemicin?
You can request a quote for Isoelemicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoelemicin?
Yes, KEHONG BIO provides custom synthesis services for Isoelemicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.