異黃樟腦
TL;DR: 異黃樟腦 (CAS 12168-52-4) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
異黃樟腦
5-[(E)-prop-1-enyl]-1,3-benzodioxole
Also Known As: Isosafrol, Izosafrol, beta-Isosafrole, (E)-Isosafrole, trans-Isosafrole
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.06808 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 12168-52-4 |
|---|---|
| SMILES | C/C=C/C1=CC2=C(C=C1)OCO2 |
| InChIKey | VHVOLFRBFDOUSH-NSCUHMNNSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
異黃樟腦 (CAS 12168-52-4), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: 5-[(E)-prop-1-enyl]-1,3-benzodioxole.
Chemical Property Profile of 異黃樟腦
Property Insights of 異黃樟腦
The XLogP value of 3.1 indicates that 異黃樟腦 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 異黃樟腦 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 異黃樟腦 has 0 hydrogen bond donor(s) and 2 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 異黃樟腦?
The CAS number of 異黃樟腦 is 12168-52-4.
What is the molecular formula of 異黃樟腦?
The molecular formula of 異黃樟腦 is C10H10O2.
What is the molecular weight of 異黃樟腦?
The molecular weight of 異黃樟腦 is 162.07 g/mol.
Where can I buy 異黃樟腦?
You can request a quote for 異黃樟腦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 異黃樟腦?
Yes, KEHONG BIO provides custom synthesis services for 異黃樟腦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.