1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile
TL;DR: 1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile (CAS 118373-44-7) is a chemical compound with molecular formula C12H10N4O2 and molecular weight 242.08037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,6-diamino-2,5-diformyl-1,4-dihydropentalene-3a,6a-dicarbonitrile
Also Known As: NCI60_029272, 1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile, 3,6-diamino-2,5-diformyl-1,4-dihydropentalene-3a,6a-dicarbonitrile, 3,6-diamino-2,5-diformylpentalene-3a,6a(1h,4h)-dicarbonitrile, 3,6-diamino-2,5-diformyl-1,3a,4,6a-tetrahydropentalene-3a,6a-dicarbonitrile
Technical Specifications
| Molecular Formula | C12H10N4O2 |
| Molecular Weight | 242.08037 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.08037 Da |
| Heavy Atoms | 18 |
| Complexity | 571.0 |
| SMILES | C1C(=C(C2(C1(C(=C(C2)C=O)N)C#N)C#N)N)C=O |
| InChIKey | QHFQDPOTWPBWAH-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile
Property Insights of 1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile
The XLogP value of -1.4 indicates that 1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile. Following Lipinski's Rule of Five, 1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile?
The CAS number of 1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile is 118373-44-7.
What is the molecular formula of 1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile?
The molecular formula of 1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile is C12H10N4O2.
What is the molecular weight of 1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile?
The molecular weight of 1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile is 242.08037 g/mol.
Where can I buy 1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile?
You can request a quote for 1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile?
Yes, CoreyChem provides custom synthesis services for 1,4-Diamino-2,5-diformyl-3a,6a(3H,6H)-pentalenedicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.