2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid
TL;DR: 2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid (CAS 897798-58-2) is a chemical compound with molecular formula C21H15N3O6 and molecular weight 405.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[2-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carbonyl]amino]phenyl]acetic acid
Also Known As: 2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid, [4-({[2-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)phenyl]acetic acid, 2-[4-[[2-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-isoindole-5-carbonyl]amino]phenyl]acetic Acid, 2-[4-[[2-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carbonyl]amino]phenyl]acetic acid
| Molecular Formula | C21H15N3O6 |
|---|---|
| Molecular Weight | 405.10 g/mol |
| LogP | 2.66302 |
| Topological Polar Surface Area | 129.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.0961 |
| Heavy Atoms | 30 |
| Complexity | 1195.7057 |
Chemical Identifiers
| CAS Number | 897798-58-2 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)CC(=O)O |
Product Overview
2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid (CAS 897798-58-2), with molecular formula C21H15N3O6 and molecular weight 405.10 g/mol. IUPAC: 2-[4-[[2-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carbonyl]amino]phenyl]acetic acid.
Chemical Property Profile of 2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid
Property Insights of 2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid
The XLogP value of 2.66302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid. The TPSA of 129.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid. Following Lipinski's Rule of Five, 2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid has 2 hydrogen bond donor(s) and 6 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 2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid?
The CAS number of 2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid is 897798-58-2.
What is the molecular formula of 2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid?
The molecular formula of 2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid is C21H15N3O6.
What is the molecular weight of 2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid?
The molecular weight of 2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid is 405.10 g/mol.
Where can I buy 2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid?
You can request a quote for 2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)phenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.