7-Cyano-2-heptene-4,6-diynoic acid
TL;DR: 7-Cyano-2-heptene-4,6-diynoic acid (CAS 3625-68-1) is a chemical compound with molecular formula C8H3NO2 and molecular weight 145.01637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-cyanohept-2-en-4,6-diynoic acid
Also Known As: 7-Cyano-2-heptene-4,6-diynoic acid, 7-cyanohept-2-en-4,6-diynoic acid, 7-Cyanohept-2-ene-4,6-diynoic acid
Technical Specifications
| Molecular Formula | C8H3NO2 |
| Molecular Weight | 145.01637 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.01637 Da |
| Heavy Atoms | 11 |
| Complexity | 355.0 |
| SMILES | C(=CC(=O)O)C#CC#CC#N |
| InChIKey | DMGKNZBGIHCAMP-UHFFFAOYSA-N |
Product Description
Applications: 7-Cyano-2-heptene-4,6-diynoic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
7-Cyano-2-heptene-4,6-diynoic acid is a fine chemical identified by CAS number 3625-68-1 and the molecular formula C8H3NO2 and a molecular weight of 145.02 g/mol. Synonyms include 7-Cyano-2-heptene-4,6-diynoic acid and 7-cyanohept-2-en-4,6-diynoic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 7-Cyano-2-heptene-4,6-diynoic acid
Property Insights of 7-Cyano-2-heptene-4,6-diynoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Cyano-2-heptene-4,6-diynoic acid. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Cyano-2-heptene-4,6-diynoic acid. Following Lipinski's Rule of Five, 7-Cyano-2-heptene-4,6-diynoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-Cyano-2-heptene-4,6-diynoic acid?
The CAS number of 7-Cyano-2-heptene-4,6-diynoic acid is 3625-68-1.
What is the molecular formula of 7-Cyano-2-heptene-4,6-diynoic acid?
The molecular formula of 7-Cyano-2-heptene-4,6-diynoic acid is C8H3NO2.
What is the molecular weight of 7-Cyano-2-heptene-4,6-diynoic acid?
The molecular weight of 7-Cyano-2-heptene-4,6-diynoic acid is 145.01637 g/mol.
What are the applications of 7-Cyano-2-heptene-4,6-diynoic acid?
7-Cyano-2-heptene-4,6-diynoic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA,...
Where can I buy 7-Cyano-2-heptene-4,6-diynoic acid?
You can request a quote for 7-Cyano-2-heptene-4,6-diynoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Cyano-2-heptene-4,6-diynoic acid?
Yes, CoreyChem provides custom synthesis services for 7-Cyano-2-heptene-4,6-diynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.