Allylpyrocatechol
TL;DR: Allylpyrocatechol (CAS 112764-20-2) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enylbenzene-1,2-diol
Also Known As: Allylpyrocatechol, 3-Allylcatechol, 3-prop-2-enylbenzene-1,2-diol, 3-Allylpyrocatechol, 3-allylbenzene-1,2-diol
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.06808 |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 112764-20-2 |
|---|---|
| SMILES | C=CCC1=C(C(=CC=C1)O)O |
| InChIKey | PARWTEYYJSDGQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allylpyrocatechol (CAS 112764-20-2), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: 3-prop-2-enylbenzene-1,2-diol.
Chemical Property Profile of Allylpyrocatechol
Property Insights of Allylpyrocatechol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allylpyrocatechol. With a topological polar surface area (TPSA) of 40.5 Ų, Allylpyrocatechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allylpyrocatechol has 2 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 Allylpyrocatechol?
The CAS number of Allylpyrocatechol is 112764-20-2.
What is the molecular formula of Allylpyrocatechol?
The molecular formula of Allylpyrocatechol is C9H10O2.
What is the molecular weight of Allylpyrocatechol?
The molecular weight of Allylpyrocatechol is 150.07 g/mol.
Where can I buy Allylpyrocatechol?
You can request a quote for Allylpyrocatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allylpyrocatechol?
Yes, KEHONG BIO provides custom synthesis services for Allylpyrocatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.