AN-979/41068911
TL;DR: AN-979/41068911 (CAS 500263-69-4) is a chemical compound with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]phenoxy]acetate
Also Known As: AN-979/41068911, methyl (4-{[(2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}phenoxy)acetate, methyl 2-(4-(2-(tert-butyl)-1,3-dioxoisoindoline-5-carboxamido)phenoxy)acetate, methyl 2-[4-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]phenoxy]acetate
| Molecular Formula | C22H22N2O6 |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 2.8852 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.1478 |
| Heavy Atoms | 30 |
| Complexity | 1020.9136 |
Chemical Identifiers
| CAS Number | 500263-69-4 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)OCC(=O)OC |
Product Overview
AN-979/41068911 (CAS 500263-69-4), with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol. IUPAC: methyl 2-[4-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]phenoxy]acetate.
Chemical Property Profile of AN-979/41068911
Property Insights of AN-979/41068911
The XLogP value of 2.8852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-979/41068911. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-979/41068911. Following Lipinski's Rule of Five, AN-979/41068911 has 1 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 AN-979/41068911?
The CAS number of AN-979/41068911 is 500263-69-4.
What is the molecular formula of AN-979/41068911?
The molecular formula of AN-979/41068911 is C22H22N2O6.
What is the molecular weight of AN-979/41068911?
The molecular weight of AN-979/41068911 is 410.15 g/mol.
Where can I buy AN-979/41068911?
You can request a quote for AN-979/41068911 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-979/41068911?
Yes, KEHONG BIO provides custom synthesis services for AN-979/41068911 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.