AN-979/40826831
TL;DR: AN-979/40826831 (CAS 500261-57-4) is a chemical compound with molecular formula C22H14ClNO6S and molecular weight 455.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(4-chlorophenyl)methyl]-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid
Also Known As: AN-979/40826831, 4-{[2-(4-chlorobenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]sulfonyl}benzoic acid, 4-((2-(4-chlorobenzyl)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid, 4-[2-[(4-chlorophenyl)methyl]-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid, 4-[2-[(4-chlorophenyl)methyl]-1,3-dioxo-isoindol-5-yl]sulfonylbenzoic Acid
| Molecular Formula | C22H14ClNO6S |
|---|---|
| Molecular Weight | 455.02 g/mol |
| LogP | 3.6672 |
| Topological Polar Surface Area | 108.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.02304 |
| Heavy Atoms | 31 |
| Complexity | 1331.4191 |
Chemical Identifiers
| CAS Number | 500261-57-4 |
|---|---|
| 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)Cl |
Product Overview
AN-979/40826831 (CAS 500261-57-4), with molecular formula C22H14ClNO6S and molecular weight 455.02 g/mol. IUPAC: 4-[2-[(4-chlorophenyl)methyl]-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid.
Chemical Property Profile of AN-979/40826831
Property Insights of AN-979/40826831
The XLogP value of 3.6672 indicates that AN-979/40826831 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-979/40826831. Following Lipinski's Rule of Five, AN-979/40826831 has 1 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 AN-979/40826831?
The CAS number of AN-979/40826831 is 500261-57-4.
What is the molecular formula of AN-979/40826831?
The molecular formula of AN-979/40826831 is C22H14ClNO6S.
What is the molecular weight of AN-979/40826831?
The molecular weight of AN-979/40826831 is 455.02 g/mol.
Where can I buy AN-979/40826831?
You can request a quote for AN-979/40826831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-979/40826831?
Yes, KEHONG BIO provides custom synthesis services for AN-979/40826831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.