(S)-2-(3-(4-(2-amino-2-oxoethoxy)phenyl)-5-(benzylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid
TL;DR: (S)-2-(3-(4-(2-amino-2-oxoethoxy)phenyl)-5-(benzylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid (CAS 1212220-20-6) is a chemical compound with molecular formula C21H21N3O6 and molecular weight 411.14304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5S)-3-[4-(2-amino-2-oxoethoxy)phenyl]-5-(benzylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid
Also Known As: (S)-2-(3-(4-(2-amino-2-oxoethoxy)phenyl)-5-(benzylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid, [(5S)-3-[4-(2-amino-2-oxoethoxy)phenyl]-5-(benzylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid, 2-[(5S)-3-[4-(2-amino-2-oxoethoxy)phenyl]-5-(benzylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid, 2-[(5S)-5-(benzylcarbamoyl)-3-[4-(carbamoylmethoxy)phenyl]-4H-1,2-oxazol-5-yl]acetic Acid
Technical Specifications
| Molecular Formula | C21H21N3O6 |
| Molecular Weight | 411.14304 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.14304 Da |
| Heavy Atoms | 30 |
| Complexity | 668.0 |
| SMILES | C1C(=NO[C@@]1(CC(=O)O)C(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)OCC(=O)N |
| InChIKey | ALFWAHGDZMHQQD-NRFANRHFSA-N |
Chemical Property Profile of (S)-2-(3-(4-(2-amino-2-oxoethoxy)phenyl)-5-(benzylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid
Property Insights of (S)-2-(3-(4-(2-amino-2-oxoethoxy)phenyl)-5-(benzylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(3-(4-(2-amino-2-oxoethoxy)phenyl)-5-(benzylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid. The TPSA of 140.0 Ų indicates high polarity, suggesting (S)-2-(3-(4-(2-amino-2-oxoethoxy)phenyl)-5-(benzylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-2-(3-(4-(2-amino-2-oxoethoxy)phenyl)-5-(benzylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid has 3 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-(3-(4-(2-amino-2-oxoethoxy)phenyl)-5-(benzylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid?
The CAS number of (S)-2-(3-(4-(2-amino-2-oxoethoxy)phenyl)-5-(benzylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid is 1212220-20-6.
What is the molecular formula of (S)-2-(3-(4-(2-amino-2-oxoethoxy)phenyl)-5-(benzylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid?
The molecular formula of (S)-2-(3-(4-(2-amino-2-oxoethoxy)phenyl)-5-(benzylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid is C21H21N3O6.
What is the molecular weight of (S)-2-(3-(4-(2-amino-2-oxoethoxy)phenyl)-5-(benzylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid?
The molecular weight of (S)-2-(3-(4-(2-amino-2-oxoethoxy)phenyl)-5-(benzylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid is 411.14304 g/mol.
Where can I buy (S)-2-(3-(4-(2-amino-2-oxoethoxy)phenyl)-5-(benzylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid?
You can request a quote for (S)-2-(3-(4-(2-amino-2-oxoethoxy)phenyl)-5-(benzylcarbamoyl)-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-(3-(4-(2-amino-2-oxoethoxy)phenyl)-5-(benzylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid?
Yes, CoreyChem provides custom synthesis services for (S)-2-(3-(4-(2-amino-2-oxoethoxy)phenyl)-5-(benzylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.