2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo-
TL;DR: 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo- (CAS 120714-33-2) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-4-oxo-2,3-dihydrochromen-5-yl)acetic acid
Also Known As: 3,4-dihydro-2-methyl-4-oxo-2H-1-benzopyran-5-acetic acid, 2-(2-methyl-4-oxo-2,3-dihydrochromen-5-yl)acetic acid, 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo-, (2-Methyl-4-oxo-3,4-dihydro-2H-chromen-5-yl)acetic acid, (2-Methyl-4-oxo-3,4-dihydro-2H-chromen-5-yl)acetic acid #
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 120714-33-2 |
|---|---|
| SMILES | CC1CC(=O)C2=C(C=CC=C2O1)CC(=O)O |
| InChIKey | DHRTVHQFRQLFTG-UHFFFAOYSA-N |
Product Overview
2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo- (CAS 120714-33-2), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: 2-(2-methyl-4-oxo-2,3-dihydrochromen-5-yl)acetic acid.
Chemical Property Profile of 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo-
Property Insights of 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo- 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 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo-?
The CAS number of 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo- is 120714-33-2.
What is the molecular formula of 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo-?
The molecular formula of 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo- is C12H12O4.
What is the molecular weight of 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo-?
The molecular weight of 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo- is 220.07 g/mol.
Where can I buy 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo-?
You can request a quote for 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-2-methyl-4-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.