A1959/0082408
TL;DR: A1959/0082408 (CAS 300689-20-7) is a chemical compound with molecular formula C21H14N2O6S and molecular weight 422.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-5-yl]sulfonylbenzoic acid
Also Known As: A1959/0082408, 4-{[1,3-dioxo-2-(pyridin-3-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]sulfonyl}benzoic acid, 4-((1,3-dioxo-2-(pyridin-3-ylmethyl)isoindolin-5-yl)sulfonyl)benzoic acid, 4-[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-5-yl]sulfonylbenzoic acid, 4-{[1,3-dioxo-2-(3-pyridylmethyl)benzo[c]azolidin-5-yl]sulfonyl}benzoic acid
| Molecular Formula | C21H14N2O6S |
|---|---|
| Molecular Weight | 422.06 g/mol |
| LogP | 2.4088 |
| Topological Polar Surface Area | 121.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.05725 |
| Heavy Atoms | 30 |
| Complexity | 1284.8317 |
Chemical Identifiers
| CAS Number | 300689-20-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O |
Product Overview
A1959/0082408 (CAS 300689-20-7), with molecular formula C21H14N2O6S and molecular weight 422.06 g/mol. IUPAC: 4-[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-5-yl]sulfonylbenzoic acid.
Chemical Property Profile of A1959/0082408
Property Insights of A1959/0082408
The XLogP value of 2.4088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1959/0082408. The TPSA of 121.71 Ų falls within the moderate polarity range, balancing permeability and solubility for A1959/0082408. Following Lipinski's Rule of Five, A1959/0082408 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 A1959/0082408?
The CAS number of A1959/0082408 is 300689-20-7.
What is the molecular formula of A1959/0082408?
The molecular formula of A1959/0082408 is C21H14N2O6S.
What is the molecular weight of A1959/0082408?
The molecular weight of A1959/0082408 is 422.06 g/mol.
Where can I buy A1959/0082408?
You can request a quote for A1959/0082408 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1959/0082408?
Yes, KEHONG BIO provides custom synthesis services for A1959/0082408 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.