rel-(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
TL;DR: rel-(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid (CAS 148547-67-5) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
Also Known As: AJ-292/15586015, (2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid, rel-(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
Technical Specifications
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.0579 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.0579 Da |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
| SMILES | C[C@H]1[C@@H](OC2=CC=CC=C2O1)C(=O)O |
| InChIKey | PBEHOGACXXHTFO-IMTBSYHQSA-N |
Chemical Property Profile of rel-(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
Property Insights of rel-(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid. With a topological polar surface area (TPSA) of 55.8 Ų, rel-(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid 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
What is the CAS number of rel-(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid?
The CAS number of rel-(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid is 148547-67-5.
What is the molecular formula of rel-(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid?
The molecular formula of rel-(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid is C10H10O4.
What is the molecular weight of rel-(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid?
The molecular weight of rel-(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid is 194.0579 g/mol.
Where can I buy rel-(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid?
You can request a quote for rel-(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for rel-(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for rel-(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.