(S)-2-(3-(4-(cyanomethoxy)-3-methoxyphenyl)-5-(cyclohexylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid
TL;DR: (S)-2-(3-(4-(cyanomethoxy)-3-methoxyphenyl)-5-(cyclohexylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid (CAS 1212333-45-3) is a chemical compound with molecular formula C21H25N3O6 and molecular weight 415.17435 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5S)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-5-(cyclohexylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid
Also Known As: (S)-2-(3-(4-(cyanomethoxy)-3-methoxyphenyl)-5-(cyclohexylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid, [(5S)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-5-(cyclohexylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid, 2-[(5S)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-5-(cyclohexylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid, 2-[3-[4-(cyanomethoxy)-3-methoxy-phenyl]-5-(cyclohexylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic Acid
Technical Specifications
| Molecular Formula | C21H25N3O6 |
| Molecular Weight | 415.17435 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.17435 Da |
| Heavy Atoms | 30 |
| Complexity | 711.0 |
| SMILES | COC1=C(C=CC(=C1)C2=NO[C@@](C2)(CC(=O)O)C(=O)NC3CCCCC3)OCC#N |
| InChIKey | FLMZSJWOHUVSBK-NRFANRHFSA-N |
Chemical Property Profile of (S)-2-(3-(4-(cyanomethoxy)-3-methoxyphenyl)-5-(cyclohexylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid
Property Insights of (S)-2-(3-(4-(cyanomethoxy)-3-methoxyphenyl)-5-(cyclohexylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(3-(4-(cyanomethoxy)-3-methoxyphenyl)-5-(cyclohexylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(3-(4-(cyanomethoxy)-3-methoxyphenyl)-5-(cyclohexylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid. Following Lipinski's Rule of Five, (S)-2-(3-(4-(cyanomethoxy)-3-methoxyphenyl)-5-(cyclohexylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid has 2 hydrogen bond donor(s) and 8 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-(cyanomethoxy)-3-methoxyphenyl)-5-(cyclohexylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid?
The CAS number of (S)-2-(3-(4-(cyanomethoxy)-3-methoxyphenyl)-5-(cyclohexylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid is 1212333-45-3.
What is the molecular formula of (S)-2-(3-(4-(cyanomethoxy)-3-methoxyphenyl)-5-(cyclohexylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid?
The molecular formula of (S)-2-(3-(4-(cyanomethoxy)-3-methoxyphenyl)-5-(cyclohexylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid is C21H25N3O6.
What is the molecular weight of (S)-2-(3-(4-(cyanomethoxy)-3-methoxyphenyl)-5-(cyclohexylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid?
The molecular weight of (S)-2-(3-(4-(cyanomethoxy)-3-methoxyphenyl)-5-(cyclohexylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid is 415.17435 g/mol.
Where can I buy (S)-2-(3-(4-(cyanomethoxy)-3-methoxyphenyl)-5-(cyclohexylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid?
You can request a quote for (S)-2-(3-(4-(cyanomethoxy)-3-methoxyphenyl)-5-(cyclohexylcarbamoyl)-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-(cyanomethoxy)-3-methoxyphenyl)-5-(cyclohexylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid?
Yes, CoreyChem provides custom synthesis services for (S)-2-(3-(4-(cyanomethoxy)-3-methoxyphenyl)-5-(cyclohexylcarbamoyl)-4,5-dihydroisoxazol-5-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.