偏四甲苯
TL;DR: 偏四甲苯 (CAS 527-53-7) is a chemical compound with molecular formula C10H14 and molecular weight 134.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
偏四甲苯
1,2,3,5-tetramethylbenzene
Also Known As: Isodurene, 1,2,3,5-TETRAMETHYLBENZENE, Izodurene, Benzene, 1,2,3,5-tetramethyl-, 1,3,4,5-Tetramethylbenzene
| Molecular Formula | C10H14 |
|---|---|
| Molecular Weight | 134.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.10954 |
| Heavy Atoms | 10 |
| Complexity | 94.0 |
| Melting Point | -23.7 °C |
| Boiling Point | 198.0 °C at 760 mmHg |
| Density | 0.891 at 20.0 °C - Less dense than water; will float |
| Flash Point | 63.3 °C |
| Vapor Pressure | 0.49 [mmHg] |
Chemical Identifiers
| CAS Number | 527-53-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C)C |
| InChIKey | BFIMMTCNYPIMRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
偏四甲苯 (CAS 527-53-7), with molecular formula C10H14 and molecular weight 134.11 g/mol. IUPAC: 1,2,3,5-tetramethylbenzene.
Chemical Property Profile of 偏四甲苯
Property Insights of 偏四甲苯
The XLogP value of 4.0 indicates that 偏四甲苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 偏四甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 偏四甲苯 has 0 hydrogen bond donor(s) and 0 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 偏四甲苯?
The CAS number of 偏四甲苯 is 527-53-7.
What is the molecular formula of 偏四甲苯?
The molecular formula of 偏四甲苯 is C10H14.
What is the molecular weight of 偏四甲苯?
The molecular weight of 偏四甲苯 is 134.11 g/mol.
Where can I buy 偏四甲苯?
You can request a quote for 偏四甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 偏四甲苯?
Yes, KEHONG BIO provides custom synthesis services for 偏四甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.