4,5,6-Trimethyl-2,3-benzoxalene
TL;DR: 4,5,6-Trimethyl-2,3-benzoxalene (CAS 10435-68-4) is a chemical compound with molecular formula C15H14O and molecular weight 210.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4-trimethylindeno[2,1-b]pyran
Also Known As: 4,5,6-Trimethyl-2,3-benzoxalene, 2,3,4-trimethylindeno[2,1-b]pyran, 4,5,6-Trimethyl-2,3-benzoxalen
| Molecular Formula | C15H14O |
|---|---|
| Molecular Weight | 210.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.10446 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 10435-68-4 |
|---|---|
| SMILES | CC1=C(OC2=CC3=CC=CC=C3C2=C1C)C |
| InChIKey | RQRZTEYZJZHKQR-UHFFFAOYSA-N |
Product Overview
4,5,6-Trimethyl-2,3-benzoxalene (CAS 10435-68-4), with molecular formula C15H14O and molecular weight 210.10 g/mol. IUPAC: 2,3,4-trimethylindeno[2,1-b]pyran.
Chemical Property Profile of 4,5,6-Trimethyl-2,3-benzoxalene
Property Insights of 4,5,6-Trimethyl-2,3-benzoxalene
The XLogP value of 4.4 indicates that 4,5,6-Trimethyl-2,3-benzoxalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.1 Ų, 4,5,6-Trimethyl-2,3-benzoxalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6-Trimethyl-2,3-benzoxalene has 0 hydrogen bond donor(s) and 1 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-Trimethyl-2,3-benzoxalene?
The CAS number of 4,5,6-Trimethyl-2,3-benzoxalene is 10435-68-4.
What is the molecular formula of 4,5,6-Trimethyl-2,3-benzoxalene?
The molecular formula of 4,5,6-Trimethyl-2,3-benzoxalene is C15H14O.
What is the molecular weight of 4,5,6-Trimethyl-2,3-benzoxalene?
The molecular weight of 4,5,6-Trimethyl-2,3-benzoxalene is 210.10 g/mol.
Where can I buy 4,5,6-Trimethyl-2,3-benzoxalene?
You can request a quote for 4,5,6-Trimethyl-2,3-benzoxalene 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-Trimethyl-2,3-benzoxalene?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6-Trimethyl-2,3-benzoxalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.