2,2-Dimethyl-2H-1-benzopyran
TL;DR: 2,2-Dimethyl-2H-1-benzopyran (CAS 2513-25-9) is a chemical compound with molecular formula C11H12O and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylchromene
Also Known As: 2,2-Dimethylchromene, 2,2-Dimethyl-2H-chromene, 2,2-Dimethyl-2H-1-benzopyran, 2H-1-Benzopyran, 2,2-dimethyl-, 2,2-Dimethylbenzopyran
| Molecular Formula | C11H12O |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.08882 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 2513-25-9 |
|---|---|
| SMILES | CC1(C=CC2=CC=CC=C2O1)C |
| InChIKey | SAXKWTPDZMBKSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-2H-1-benzopyran (CAS 2513-25-9), with molecular formula C11H12O and molecular weight 160.09 g/mol. IUPAC: 2,2-dimethylchromene.
Chemical Property Profile of 2,2-Dimethyl-2H-1-benzopyran
Property Insights of 2,2-Dimethyl-2H-1-benzopyran
The XLogP value of 3.3 indicates that 2,2-Dimethyl-2H-1-benzopyran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2,2-Dimethyl-2H-1-benzopyran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-2H-1-benzopyran 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 2,2-Dimethyl-2H-1-benzopyran?
The CAS number of 2,2-Dimethyl-2H-1-benzopyran is 2513-25-9.
What is the molecular formula of 2,2-Dimethyl-2H-1-benzopyran?
The molecular formula of 2,2-Dimethyl-2H-1-benzopyran is C11H12O.
What is the molecular weight of 2,2-Dimethyl-2H-1-benzopyran?
The molecular weight of 2,2-Dimethyl-2H-1-benzopyran is 160.09 g/mol.
Where can I buy 2,2-Dimethyl-2H-1-benzopyran?
You can request a quote for 2,2-Dimethyl-2H-1-benzopyran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-2H-1-benzopyran?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-2H-1-benzopyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.