3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸
TL;DR: 3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸 (CAS 6468-73-1) is a chemical compound with molecular formula C12H8O5 and molecular weight 232.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸
3-acetyl-2-oxochromene-6-carboxylic acid
Also Known As: 3-Acetyl-6-carboxycoumarin, 3-acetyl-2-oxochromene-6-carboxylic acid, 3-Acetyl-2-oxo-2H-1-benzopyran-6-carboxylic acid, 3-acetyl-2-oxo-2H-chromene-6-carboxylic acid, 2H-1-BENZOPYRAN-6-CARBOXYLIC ACID, 3-ACETYL-2-OXO-
| Molecular Formula | C12H8O5 |
|---|---|
| Molecular Weight | 232.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.03717 |
| Heavy Atoms | 17 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 6468-73-1 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=CC(=C2)C(=O)O)OC1=O |
| InChIKey | YZYOZBNENKHAAN-UHFFFAOYSA-N |
Product Overview
3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸 (CAS 6468-73-1), with molecular formula C12H8O5 and molecular weight 232.04 g/mol. IUPAC: 3-acetyl-2-oxochromene-6-carboxylic acid.
Chemical Property Profile of 3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸
Property Insights of 3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸. Following Lipinski's Rule of Five, 3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸 has 1 hydrogen bond donor(s) and 5 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 3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸?
The CAS number of 3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸 is 6468-73-1.
What is the molecular formula of 3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸?
The molecular formula of 3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸 is C12H8O5.
What is the molecular weight of 3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸?
The molecular weight of 3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸 is 232.04 g/mol.
Where can I buy 3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸?
You can request a quote for 3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-乙酰基-2-氧代-2H-1-苯并吡喃-6-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.