(10-Nitro-9,10-dihydroanthracen-9-yl)propanedinitrile
TL;DR: (10-Nitro-9,10-dihydroanthracen-9-yl)propanedinitrile (CAS 3010-53-5) is a chemical compound with molecular formula C17H11N3O2 and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(10-nitro-9,10-dihydroanthracen-9-yl)propanedinitrile
Also Known As: KST-1A3596, (10-nitro-9,10-dihydroanthracen-9-yl)propanedinitrile, 2-(10-nitro-9,10-dihydroanthracen-9-yl)propanedinitrile, Propanedinitrile, 2-(9,10-dihydro-10-nitro-9-anthracenyl)-
| Molecular Formula | C17H11N3O2 |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.0851 |
| Heavy Atoms | 22 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 3010-53-5 |
|---|---|
| SMILES | C1=CC=C2C(C3=CC=CC=C3C(C2=C1)C(C#N)C#N)[N+](=O)[O-] |
| InChIKey | SOVJCOFJKPASSR-UHFFFAOYSA-N |
Product Overview
(10-Nitro-9,10-dihydroanthracen-9-yl)propanedinitrile (CAS 3010-53-5), with molecular formula C17H11N3O2 and molecular weight 289.09 g/mol. IUPAC: 2-(10-nitro-9,10-dihydroanthracen-9-yl)propanedinitrile.
Chemical Property Profile of (10-Nitro-9,10-dihydroanthracen-9-yl)propanedinitrile
Property Insights of (10-Nitro-9,10-dihydroanthracen-9-yl)propanedinitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (10-Nitro-9,10-dihydroanthracen-9-yl)propanedinitrile. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (10-Nitro-9,10-dihydroanthracen-9-yl)propanedinitrile. Following Lipinski's Rule of Five, (10-Nitro-9,10-dihydroanthracen-9-yl)propanedinitrile has 0 hydrogen bond donor(s) and 4 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 (10-Nitro-9,10-dihydroanthracen-9-yl)propanedinitrile?
The CAS number of (10-Nitro-9,10-dihydroanthracen-9-yl)propanedinitrile is 3010-53-5.
What is the molecular formula of (10-Nitro-9,10-dihydroanthracen-9-yl)propanedinitrile?
The molecular formula of (10-Nitro-9,10-dihydroanthracen-9-yl)propanedinitrile is C17H11N3O2.
What is the molecular weight of (10-Nitro-9,10-dihydroanthracen-9-yl)propanedinitrile?
The molecular weight of (10-Nitro-9,10-dihydroanthracen-9-yl)propanedinitrile is 289.09 g/mol.
Where can I buy (10-Nitro-9,10-dihydroanthracen-9-yl)propanedinitrile?
You can request a quote for (10-Nitro-9,10-dihydroanthracen-9-yl)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (10-Nitro-9,10-dihydroanthracen-9-yl)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (10-Nitro-9,10-dihydroanthracen-9-yl)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.