2-((2,2-Dimethyl-4-oxochroman-7-yl)oxy)acetic acid
TL;DR: 2-((2,2-Dimethyl-4-oxochroman-7-yl)oxy)acetic acid (CAS 1049731-69-2) is a chemical compound with molecular formula C13H14O5 and molecular weight 250.08412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetic acid
Also Known As: Maybridge1_006544, starbld0021337, 2-((2,2-dimethyl-4-oxochroman-7-yl)oxy)acetic acid, 2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetic acid, 2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]acetic acid
Technical Specifications
| Molecular Formula | C13H14O5 |
| Molecular Weight | 250.08412 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.08412 Da |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
| SMILES | CC1(CC(=O)C2=C(O1)C=C(C=C2)OCC(=O)O)C |
| InChIKey | JOJCMTSSOUZRSI-UHFFFAOYSA-N |
Chemical Property Profile of 2-((2,2-Dimethyl-4-oxochroman-7-yl)oxy)acetic acid
Property Insights of 2-((2,2-Dimethyl-4-oxochroman-7-yl)oxy)acetic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2,2-Dimethyl-4-oxochroman-7-yl)oxy)acetic acid. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2,2-Dimethyl-4-oxochroman-7-yl)oxy)acetic acid. Following Lipinski's Rule of Five, 2-((2,2-Dimethyl-4-oxochroman-7-yl)oxy)acetic acid 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
What is the CAS number of 2-((2,2-Dimethyl-4-oxochroman-7-yl)oxy)acetic acid?
The CAS number of 2-((2,2-Dimethyl-4-oxochroman-7-yl)oxy)acetic acid is 1049731-69-2.
What is the molecular formula of 2-((2,2-Dimethyl-4-oxochroman-7-yl)oxy)acetic acid?
The molecular formula of 2-((2,2-Dimethyl-4-oxochroman-7-yl)oxy)acetic acid is C13H14O5.
What is the molecular weight of 2-((2,2-Dimethyl-4-oxochroman-7-yl)oxy)acetic acid?
The molecular weight of 2-((2,2-Dimethyl-4-oxochroman-7-yl)oxy)acetic acid is 250.08412 g/mol.
Where can I buy 2-((2,2-Dimethyl-4-oxochroman-7-yl)oxy)acetic acid?
You can request a quote for 2-((2,2-Dimethyl-4-oxochroman-7-yl)oxy)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((2,2-Dimethyl-4-oxochroman-7-yl)oxy)acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-((2,2-Dimethyl-4-oxochroman-7-yl)oxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.