1,2,4-Trimethoxybenzene
TL;DR: 1,2,4-Trimethoxybenzene (CAS 135-77-3) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trimethoxybenzene
Also Known As: 1,2,4-Trimethoxybenzene, Vetrazine, Benzene, 1,2,4-trimethoxy-, Trimethoxybenzene, 1,4,5-trimethoxybenzene
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 135-77-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)OC |
| InChIKey | AGIQIOSHSMJYJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Trimethoxybenzene (CAS 135-77-3), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 1,2,4-trimethoxybenzene.
Chemical Property Profile of 1,2,4-Trimethoxybenzene
Property Insights of 1,2,4-Trimethoxybenzene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Trimethoxybenzene. With a topological polar surface area (TPSA) of 27.7 Ų, 1,2,4-Trimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Trimethoxybenzene has 0 hydrogen bond donor(s) and 3 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 1,2,4-Trimethoxybenzene?
The CAS number of 1,2,4-Trimethoxybenzene is 135-77-3.
What is the molecular formula of 1,2,4-Trimethoxybenzene?
The molecular formula of 1,2,4-Trimethoxybenzene is C9H12O3.
What is the molecular weight of 1,2,4-Trimethoxybenzene?
The molecular weight of 1,2,4-Trimethoxybenzene is 168.08 g/mol.
Where can I buy 1,2,4-Trimethoxybenzene?
You can request a quote for 1,2,4-Trimethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Trimethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Trimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.