2-Methyl-2H-1-benzopyran-3-carboxaldehyde
TL;DR: 2-Methyl-2H-1-benzopyran-3-carboxaldehyde (CAS 57543-42-7) is a chemical compound with molecular formula C11H10O2 and molecular weight 174.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-2H-chromene-3-carbaldehyde
Also Known As: 2-methyl-2H-chromene-3-carbaldehyde, 2-Methyl-2H-1-benzopyran-3-carbaldehyde, 2-Methyl-2H-1-benzopyran-3-carboxaldehyde, 2H-1-BENZOPYRAN-3-CARBOXALDEHYDE, 2-METHYL-, 5909AE
Technical Specifications
| Molecular Formula | C11H10O2 |
| Molecular Weight | 174.06808 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.06808 Da |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
| SMILES | CC1C(=CC2=CC=CC=C2O1)C=O |
| InChIKey | XVXWDVISFYVJQD-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-2H-1-benzopyran-3-carboxaldehyde
Property Insights of 2-Methyl-2H-1-benzopyran-3-carboxaldehyde
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2H-1-benzopyran-3-carboxaldehyde. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methyl-2H-1-benzopyran-3-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2H-1-benzopyran-3-carboxaldehyde has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Methyl-2H-1-benzopyran-3-carboxaldehyde?
The CAS number of 2-Methyl-2H-1-benzopyran-3-carboxaldehyde is 57543-42-7.
What is the molecular formula of 2-Methyl-2H-1-benzopyran-3-carboxaldehyde?
The molecular formula of 2-Methyl-2H-1-benzopyran-3-carboxaldehyde is C11H10O2.
What is the molecular weight of 2-Methyl-2H-1-benzopyran-3-carboxaldehyde?
The molecular weight of 2-Methyl-2H-1-benzopyran-3-carboxaldehyde is 174.06808 g/mol.
Where can I buy 2-Methyl-2H-1-benzopyran-3-carboxaldehyde?
You can request a quote for 2-Methyl-2H-1-benzopyran-3-carboxaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-2H-1-benzopyran-3-carboxaldehyde?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-2H-1-benzopyran-3-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.