(S)-2-(5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid
TL;DR: (S)-2-(5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid (CAS 1212308-63-8) is a chemical compound with molecular formula C21H22N2O6 and molecular weight 398.1478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5S)-5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid
Also Known As: (S)-2-(5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid, 2-[(5S)-5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid, 2-[5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4H-1,2-oxazol-5-yl]acetic Acid, [(5S)-5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
Technical Specifications
| Molecular Formula | C21H22N2O6 |
| Molecular Weight | 398.1478 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.1478 Da |
| Heavy Atoms | 29 |
| Complexity | 618.0 |
| SMILES | COC1=CC(=C(C=C1)C2=NO[C@@](C2)(CC(=O)O)C(=O)NCC3=CC=CC=C3)OC |
| InChIKey | PYTYFHSUMNRBKX-NRFANRHFSA-N |
Chemical Property Profile of (S)-2-(5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid
Property Insights of (S)-2-(5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid. Following Lipinski's Rule of Five, (S)-2-(5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (S)-2-(5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid?
The CAS number of (S)-2-(5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid is 1212308-63-8.
What is the molecular formula of (S)-2-(5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid?
The molecular formula of (S)-2-(5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid is C21H22N2O6.
What is the molecular weight of (S)-2-(5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid?
The molecular weight of (S)-2-(5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid is 398.1478 g/mol.
Where can I buy (S)-2-(5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid?
You can request a quote for (S)-2-(5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-2-(5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid?
Yes, CoreyChem provides custom synthesis services for (S)-2-(5-(benzylcarbamoyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.