2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)-
TL;DR: 2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)- (CAS 157302-67-5) is a chemical compound with molecular formula C16H9N3S and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-isothiocyanatophenyl)isoindole-1-carbonitrile
Also Known As: CIPIC, 2-(4-Isothiocyanatophenyl)-2H-isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)isoindole-1-carbonitrile, J1.018.370G, 2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)-
| Molecular Formula | C16H9N3S |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 4.23648 |
| Topological Polar Surface Area | 41.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.05173 |
| Heavy Atoms | 20 |
| Complexity | 862.8685 |
Chemical Identifiers
| CAS Number | 157302-67-5 |
|---|---|
| SMILES | C1=CC2=CN(C(=C2C=C1)C#N)C3=CC=C(C=C3)N=C=S |
Product Overview
2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)- (CAS 157302-67-5), with molecular formula C16H9N3S and molecular weight 275.05 g/mol. IUPAC: 2-(4-isothiocyanatophenyl)isoindole-1-carbonitrile.
Chemical Property Profile of 2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)-
Property Insights of 2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)-
The XLogP value of 4.23648 indicates that 2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.08 Ų, 2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)- has 0 hydrogen bond donor(s) and 3 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 2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)-?
The CAS number of 2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)- is 157302-67-5.
What is the molecular formula of 2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)-?
The molecular formula of 2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)- is C16H9N3S.
What is the molecular weight of 2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)-?
The molecular weight of 2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)- is 275.05 g/mol.
Where can I buy 2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)-?
You can request a quote for 2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Isoindole-1-carbonitrile, 2-(4-isothiocyanatophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.