二氢黄樟素
TL;DR: 二氢黄樟素 (CAS 94-58-6) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氢黄樟素
5-propyl-1,3-benzodioxole
Also Known As: Dihydrosafrole, 5-Propyl-1,3-benzodioxole, Dihydrosafrol, Safrole, dihydro-, 2',3'-Dihydrosafrole
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
| Boiling Point | 228 °C |
| Density | 1.065 at 25 °C/25 °C |
| Solubility | Miscible with ethanol, ether, acetic acid, benzene |
| Vapor Pressure | 0.05 [mmHg] |
| Refractive Index | Inedx of refraction: 1.5187 at 25 °C |
Chemical Identifiers
| CAS Number | 94-58-6 |
|---|---|
| SMILES | CCCC1=CC2=C(C=C1)OCO2 |
| InChIKey | MYEIDJPOUKASEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氢黄樟素 (CAS 94-58-6), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 5-propyl-1,3-benzodioxole.
Chemical Property Profile of 二氢黄樟素
Property Insights of 二氢黄樟素
The XLogP value of 3.2 indicates that 二氢黄樟素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 二氢黄樟素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氢黄樟素 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 二氢黄樟素?
The CAS number of 二氢黄樟素 is 94-58-6.
What is the molecular formula of 二氢黄樟素?
The molecular formula of 二氢黄樟素 is C10H12O2.
What is the molecular weight of 二氢黄樟素?
The molecular weight of 二氢黄樟素 is 164.08 g/mol.
Where can I buy 二氢黄樟素?
You can request a quote for 二氢黄樟素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氢黄樟素?
Yes, KEHONG BIO provides custom synthesis services for 二氢黄樟素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.