AN-979/40826829
TL;DR: AN-979/40826829 (CAS 500261-55-2) is a chemical compound with molecular formula C23H15NO8S and molecular weight 465.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(4-carboxyphenyl)sulfonyl-1,3-dioxoisoindol-2-yl]methyl]benzoic acid
Also Known As: AN-979/40826829, 4-{[2-(4-carboxybenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]sulfonyl}benzoic acid, 4-((2-(4-carboxybenzyl)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid, 4-[[5-(4-carboxyphenyl)sulfonyl-1,3-dioxoisoindol-2-yl]methyl]benzoic acid, 4-[[5-(4-carboxyphenyl)sulfonyl-1,3-dioxo-isoindol-2-yl]methyl]benzoic Acid
| Molecular Formula | C23H15NO8S |
|---|---|
| Molecular Weight | 465.05 g/mol |
| LogP | 2.712 |
| Topological Polar Surface Area | 146.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.05185 |
| Heavy Atoms | 33 |
| Complexity | 1424.2881 |
Chemical Identifiers
| CAS Number | 500261-55-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O)C(=O)O |
Product Overview
AN-979/40826829 (CAS 500261-55-2), with molecular formula C23H15NO8S and molecular weight 465.05 g/mol. IUPAC: 4-[[5-(4-carboxyphenyl)sulfonyl-1,3-dioxoisoindol-2-yl]methyl]benzoic acid.
Chemical Property Profile of AN-979/40826829
Property Insights of AN-979/40826829
The XLogP value of 2.712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-979/40826829. The TPSA of 146.12 Ų indicates high polarity, suggesting AN-979/40826829 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AN-979/40826829 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 AN-979/40826829?
The CAS number of AN-979/40826829 is 500261-55-2.
What is the molecular formula of AN-979/40826829?
The molecular formula of AN-979/40826829 is C23H15NO8S.
What is the molecular weight of AN-979/40826829?
The molecular weight of AN-979/40826829 is 465.05 g/mol.
Where can I buy AN-979/40826829?
You can request a quote for AN-979/40826829 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-979/40826829?
Yes, KEHONG BIO provides custom synthesis services for AN-979/40826829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.