4,5,6-Trimethylbenzene-1,3-diol
TL;DR: 4,5,6-Trimethylbenzene-1,3-diol (CAS 57455-91-1) is a chemical compound with molecular formula C9H12O2 and molecular weight 152.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6-trimethylbenzene-1,3-diol
Also Known As: 4,5,6-trimethylbenzene-1,3-diol, 4,5,6-Trimethylresorcinol, 4,5,6-Trimethyl-1,3-benzenediol, 4.6-Dioxy-1.2.3-trimethylbenzol, 4.6-Dihydroxy-1.2.3-trimethyl-benzol
| Molecular Formula | C9H12O2 |
|---|---|
| Molecular Weight | 152.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.08372 |
| Heavy Atoms | 11 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 57455-91-1 |
|---|---|
| SMILES | CC1=C(C(=CC(=C1C)O)O)C |
| InChIKey | KXAKDOWCKQHQIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5,6-Trimethylbenzene-1,3-diol (CAS 57455-91-1), with molecular formula C9H12O2 and molecular weight 152.08 g/mol. IUPAC: 4,5,6-trimethylbenzene-1,3-diol.
Chemical Property Profile of 4,5,6-Trimethylbenzene-1,3-diol
Property Insights of 4,5,6-Trimethylbenzene-1,3-diol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6-Trimethylbenzene-1,3-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 4,5,6-Trimethylbenzene-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6-Trimethylbenzene-1,3-diol 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 4,5,6-Trimethylbenzene-1,3-diol?
The CAS number of 4,5,6-Trimethylbenzene-1,3-diol is 57455-91-1.
What is the molecular formula of 4,5,6-Trimethylbenzene-1,3-diol?
The molecular formula of 4,5,6-Trimethylbenzene-1,3-diol is C9H12O2.
What is the molecular weight of 4,5,6-Trimethylbenzene-1,3-diol?
The molecular weight of 4,5,6-Trimethylbenzene-1,3-diol is 152.08 g/mol.
Where can I buy 4,5,6-Trimethylbenzene-1,3-diol?
You can request a quote for 4,5,6-Trimethylbenzene-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6-Trimethylbenzene-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6-Trimethylbenzene-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.