2,3,5-三甲基-1,4-苯二酚
TL;DR: 2,3,5-三甲基-1,4-苯二酚 (CAS 700-13-0) 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.
2,3,5-三甲基-1,4-苯二酚
2,3,5-trimethylbenzene-1,4-diol
Also Known As: Trimethylhydroquinone, 2,3,5-trimethylbenzene-1,4-diol, 2,3,5-Trimethylhydroquinone, Pseudocumohydroquinone, psi-Cumohydroquinone
| Molecular Formula | C9H12O2 |
|---|---|
| Molecular Weight | 152.08 g/mol |
| LogP | 1.7 |
| 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 | 136.0 |
| Vapor Pressure | 0.000204 [mmHg] |
Chemical Identifiers
| CAS Number | 700-13-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1O)C)C)O |
| InChIKey | AUFZRCJENRSRLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,5-三甲基-1,4-苯二酚 (CAS 700-13-0), with molecular formula C9H12O2 and molecular weight 152.08 g/mol. IUPAC: 2,3,5-trimethylbenzene-1,4-diol.
Chemical Property Profile of 2,3,5-三甲基-1,4-苯二酚
Property Insights of 2,3,5-三甲基-1,4-苯二酚
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,5-三甲基-1,4-苯二酚. With a topological polar surface area (TPSA) of 40.5 Ų, 2,3,5-三甲基-1,4-苯二酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5-三甲基-1,4-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 2,3,5-三甲基-1,4-苯二酚?
The CAS number of 2,3,5-三甲基-1,4-苯二酚 is 700-13-0.
What is the molecular formula of 2,3,5-三甲基-1,4-苯二酚?
The molecular formula of 2,3,5-三甲基-1,4-苯二酚 is C9H12O2.
What is the molecular weight of 2,3,5-三甲基-1,4-苯二酚?
The molecular weight of 2,3,5-三甲基-1,4-苯二酚 is 152.08 g/mol.
Where can I buy 2,3,5-三甲基-1,4-苯二酚?
You can request a quote for 2,3,5-三甲基-1,4-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 2,3,5-三甲基-1,4-苯二酚?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5-三甲基-1,4-苯二酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.