间苯二酚
TL;DR: 间苯二酚 (CAS 108-46-3) is a chemical compound with molecular formula C6H6O2 and molecular weight 110.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间苯二酚
benzene-1,3-diol
Also Known As: resorcinol, Resorcin, benzene-1,3-diol, 1,3-Benzenediol, 1,3-Dihydroxybenzene
| Molecular Formula | C6H6O2 |
|---|---|
| Molecular Weight | 110.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.03678 |
| Heavy Atoms | 8 |
| Complexity | 64.0 |
| Melting Point | 228 to 111.1 °C |
| Boiling Point | 531 to 280.0 °C at 760 mmHg |
| Density | 1.2 at 20.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 65.3 °F (NTP, 1992) |
| Flash Point | 127.2 °C |
| Vapor Pressure | 1 mmHg at 108.4 °C ; 0.0002 mmHg at 25.0 °C |
| Refractive Index | = 1.578 at 25 °C |
Chemical Identifiers
| CAS Number | 108-46-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)O |
| InChIKey | GHMLBKRAJCXXBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间苯二酚 (CAS 108-46-3), with molecular formula C6H6O2 and molecular weight 110.04 g/mol. IUPAC: benzene-1,3-diol.
Chemical Property Profile of 间苯二酚
Property Insights of 间苯二酚
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间苯二酚. With a topological polar surface area (TPSA) of 40.5 Ų, 间苯二酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间苯二酚 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 间苯二酚?
The CAS number of 间苯二酚 is 108-46-3.
What is the molecular formula of 间苯二酚?
The molecular formula of 间苯二酚 is C6H6O2.
What is the molecular weight of 间苯二酚?
The molecular weight of 间苯二酚 is 110.04 g/mol.
Where can I buy 间苯二酚?
You can request a quote for 间苯二酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间苯二酚?
Yes, KEHONG BIO provides custom synthesis services for 间苯二酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.