苔黑酚
TL;DR: 苔黑酚 (CAS 504-15-4) is a chemical compound with molecular formula C7H8O2 and molecular weight 124.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苔黑酚
5-methylbenzene-1,3-diol
Also Known As: Orcinol, 3,5-Dihydroxytoluene, 5-methylbenzene-1,3-diol, Orcin, 5-METHYLRESORCINOL
| Molecular Formula | C7H8O2 |
|---|---|
| Molecular Weight | 124.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.05243 |
| Heavy Atoms | 9 |
| Complexity | 82.0 |
| Vapor Pressure | 0.0028 [mmHg] |
Chemical Identifiers
| CAS Number | 504-15-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)O)O |
| InChIKey | OIPPWFOQEKKFEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苔黑酚 (CAS 504-15-4), with molecular formula C7H8O2 and molecular weight 124.05 g/mol. IUPAC: 5-methylbenzene-1,3-diol.
Chemical Property Profile of 苔黑酚
Property Insights of 苔黑酚
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苔黑酚. With a topological polar surface area (TPSA) of 40.5 Ų, 苔黑酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苔黑酚 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 苔黑酚?
The CAS number of 苔黑酚 is 504-15-4.
What is the molecular formula of 苔黑酚?
The molecular formula of 苔黑酚 is C7H8O2.
What is the molecular weight of 苔黑酚?
The molecular weight of 苔黑酚 is 124.05 g/mol.
Where can I buy 苔黑酚?
You can request a quote for 苔黑酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苔黑酚?
Yes, KEHONG BIO provides custom synthesis services for 苔黑酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.