2-Benzylresorcinol
TL;DR: 2-Benzylresorcinol (CAS 3769-40-2) is a chemical compound with molecular formula C13H12O2 and molecular weight 200.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylbenzene-1,3-diol
Also Known As: 2-Benzylresorcinol, 2-benzylbenzene-1,3-diol, Resorcinol, 2-benzyl-, 2-Benzyl-1,3-benzenediol #, 1,3-Benzenediol, 2-(phenylmethyl)-
| Molecular Formula | C13H12O2 |
|---|---|
| Molecular Weight | 200.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.08372 |
| Heavy Atoms | 15 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 3769-40-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C(C=CC=C2O)O |
| InChIKey | RKDMDAVSHRCXQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzylresorcinol (CAS 3769-40-2), with molecular formula C13H12O2 and molecular weight 200.08 g/mol. IUPAC: 2-benzylbenzene-1,3-diol.
Chemical Property Profile of 2-Benzylresorcinol
Property Insights of 2-Benzylresorcinol
The XLogP value of 3.1 indicates that 2-Benzylresorcinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Benzylresorcinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylresorcinol 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 2-Benzylresorcinol?
The CAS number of 2-Benzylresorcinol is 3769-40-2.
What is the molecular formula of 2-Benzylresorcinol?
The molecular formula of 2-Benzylresorcinol is C13H12O2.
What is the molecular weight of 2-Benzylresorcinol?
The molecular weight of 2-Benzylresorcinol is 200.08 g/mol.
Where can I buy 2-Benzylresorcinol?
You can request a quote for 2-Benzylresorcinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylresorcinol?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylresorcinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.