胡椒基醇
TL;DR: 胡椒基醇 (CAS 495-76-1) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胡椒基醇
1,3-benzodioxol-5-ylmethanol
Also Known As: Piperonyl alcohol, Piperonol, 1,3-Benzodioxol-5-ylmethanol, Benzo[d][1,3]dioxol-5-ylmethanol, Heliotropyl alcohol
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 137.0 |
| Melting Point | 58 °C |
| Boiling Point | BP: 157 °C at 16 mm Hg |
| Solubility | Slightly soluble in water |
| Vapor Pressure | 0.000254 [mmHg] |
Chemical Identifiers
| CAS Number | 495-76-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CO |
| InChIKey | BHUIUXNAPJIDOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
胡椒基醇 (CAS 495-76-1), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethanol.
Chemical Property Profile of 胡椒基醇
Property Insights of 胡椒基醇
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 胡椒基醇. With a topological polar surface area (TPSA) of 38.7 Ų, 胡椒基醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 胡椒基醇 has 1 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 胡椒基醇?
The CAS number of 胡椒基醇 is 495-76-1.
What is the molecular formula of 胡椒基醇?
The molecular formula of 胡椒基醇 is C8H8O3.
What is the molecular weight of 胡椒基醇?
The molecular weight of 胡椒基醇 is 152.05 g/mol.
Where can I buy 胡椒基醇?
You can request a quote for 胡椒基醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胡椒基醇?
Yes, KEHONG BIO provides custom synthesis services for 胡椒基醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.