2-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸
TL;DR: 2-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸 (CAS 51751-37-2) is a chemical compound with molecular formula C11H8O4 and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸
2-methyl-4-oxochromene-3-carboxylic acid
Also Known As: 2-Methyl-4-oxo-4H-1-benzopyran-3-carboxylic acid, 2-methylchromone-3-carboxylic acid, 2-methyl-4-oxochromene-3-carboxylic acid, 2-Methyl-4-oxo-chromene-3-carboxylic acid, J1.114.888C
| Molecular Formula | C11H8O4 |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.04225 |
| Heavy Atoms | 15 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 51751-37-2 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2O1)C(=O)O |
| InChIKey | VXMFTSYQYYLWTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸 (CAS 51751-37-2), with molecular formula C11H8O4 and molecular weight 204.04 g/mol. IUPAC: 2-methyl-4-oxochromene-3-carboxylic acid.
Chemical Property Profile of 2-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸
Property Insights of 2-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸. Following Lipinski's Rule of Five, 2-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸 has 1 hydrogen bond donor(s) and 4 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-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸?
The CAS number of 2-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸 is 51751-37-2.
What is the molecular formula of 2-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸?
The molecular formula of 2-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸 is C11H8O4.
What is the molecular weight of 2-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸?
The molecular weight of 2-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸 is 204.04 g/mol.
Where can I buy 2-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸?
You can request a quote for 2-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-4-氧代-4H-1-苯并吡喃-3-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.