2-(4-(2-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetic acid
TL;DR: 2-(4-(2-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetic acid (CAS 701256-84-0) is a chemical compound with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]phenoxy]acetic acid
Also Known As: 2-(4-(2-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetic acid, 2-[4-[(2-butyl-1,3-dioxo-isoindole-5-carbonyl)amino]phenoxy]acetic Acid, 2-[4-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]phenoxy]acetic acid, (4-{[(2-butyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}phenoxy)acetic acid
| Molecular Formula | C21H20N2O6 |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 2.7984 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.13214 |
| Heavy Atoms | 29 |
| Complexity | 967.63666 |
Chemical Identifiers
| CAS Number | 701256-84-0 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)OCC(=O)O |
Product Overview
2-(4-(2-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetic acid (CAS 701256-84-0), with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol. IUPAC: 2-[4-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]phenoxy]acetic acid.
Chemical Property Profile of 2-(4-(2-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetic acid
Property Insights of 2-(4-(2-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetic acid
The XLogP value of 2.7984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(2-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetic acid. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(2-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetic acid. Following Lipinski's Rule of Five, 2-(4-(2-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetic acid has 2 hydrogen bond donor(s) and 5 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-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetic acid?
The CAS number of 2-(4-(2-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetic acid is 701256-84-0.
What is the molecular formula of 2-(4-(2-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetic acid?
The molecular formula of 2-(4-(2-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetic acid is C21H20N2O6.
What is the molecular weight of 2-(4-(2-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetic acid?
The molecular weight of 2-(4-(2-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetic acid is 396.13 g/mol.
Where can I buy 2-(4-(2-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetic acid?
You can request a quote for 2-(4-(2-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)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-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(2-butyl-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.