ChemDiv3_003136
TL;DR: ChemDiv3_003136 (CAS 384356-71-2) is a chemical compound with molecular formula C26H17N3O3S and molecular weight 451.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile
Also Known As: ChemDiv3_003136, AE-848/40937953, BRD-K87966178-001-01-7, 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile, 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]sulfanyl}-4-(2-furyl)-6-phenylnicotinonitrile
| Molecular Formula | C26H17N3O3S |
|---|---|
| Molecular Weight | 451.10 g/mol |
| LogP | 5.26858 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.09906 |
| Heavy Atoms | 33 |
| Complexity | 1357.3118 |
Chemical Identifiers
| CAS Number | 384356-71-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CO3)C#N)SCCN4C(=O)C5=CC=CC=C5C4=O |
Product Overview
ChemDiv3_003136 (CAS 384356-71-2), with molecular formula C26H17N3O3S and molecular weight 451.10 g/mol. IUPAC: 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-4-(furan-2-yl)-6-phenylpyridine-3-carbonitrile.
Chemical Property Profile of ChemDiv3_003136
Property Insights of ChemDiv3_003136
The XLogP value of 5.26858 indicates that ChemDiv3_003136 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003136. Following Lipinski's Rule of Five, ChemDiv3_003136 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_003136?
The CAS number of ChemDiv3_003136 is 384356-71-2.
What is the molecular formula of ChemDiv3_003136?
The molecular formula of ChemDiv3_003136 is C26H17N3O3S.
What is the molecular weight of ChemDiv3_003136?
The molecular weight of ChemDiv3_003136 is 451.10 g/mol.
Where can I buy ChemDiv3_003136?
You can request a quote for ChemDiv3_003136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003136?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.