NCI60_034559
TL;DR: NCI60_034559 (CAS 235098-23-4) is a chemical compound with molecular formula C28H19N3O5S and molecular weight 509.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-5-cyano-1,3-dioxo-6,7-diphenylisoindol-2-yl) 4-methylbenzenesulfonate
Also Known As: NCI60_034559, (4-amino-5-cyano-1,3-dioxo-6,7-diphenyl-isoindolin-2-yl) 4-methylbenzenesulfonate, (4-amino-5-cyano-1,3-dioxo-6,7-diphenylisoindol-2-yl) 4-methylbenzenesulfonate, 4-Amino-2-(((4-methylphenyl)sulfonyl)oxy)-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile, 4-Amino-2,3-dihydro-2-[[(4-methylphenyl)sulfonyl]oxy]-1,3-dioxo-6,7-diphenyl-1H-isoindole-5-carbonitrile
| Molecular Formula | C28H19N3O5S |
|---|---|
| Molecular Weight | 509.10 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.10455 |
| Heavy Atoms | 37 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 235098-23-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(C(=C(C(=C3C2=O)N)C#N)C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | SIMLLKKCRICXKI-UHFFFAOYSA-N |
Product Overview
NCI60_034559 (CAS 235098-23-4), with molecular formula C28H19N3O5S and molecular weight 509.10 g/mol. IUPAC: (4-amino-5-cyano-1,3-dioxo-6,7-diphenylisoindol-2-yl) 4-methylbenzenesulfonate.
Chemical Property Profile of NCI60_034559
Property Insights of NCI60_034559
The XLogP value of 5.3 indicates that NCI60_034559 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_034559. Following Lipinski's Rule of Five, NCI60_034559 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_034559?
The CAS number of NCI60_034559 is 235098-23-4.
What is the molecular formula of NCI60_034559?
The molecular formula of NCI60_034559 is C28H19N3O5S.
What is the molecular weight of NCI60_034559?
The molecular weight of NCI60_034559 is 509.10 g/mol.
Where can I buy NCI60_034559?
You can request a quote for NCI60_034559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_034559?
Yes, KEHONG BIO provides custom synthesis services for NCI60_034559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.