2-氰基乙酸1,1'-酸酐
TL;DR: 2-氰基乙酸1,1'-酸酐 (CAS 70776-23-7) is a chemical compound with molecular formula C6H4N2O3 and molecular weight 152.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氰基乙酸1,1'-酸酐
(2-cyanoacetyl) 2-cyanoacetate
Also Known As: Cyanoacetic acid anhydride, cyanoacetic anhydride, 2-Cyanoacetic anhydride, 2-Cyanoaceticanhydride, Acetic acid, cyano-, anhydride
| Molecular Formula | C6H4N2O3 |
|---|---|
| Molecular Weight | 152.02 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 91.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 152.02219 |
| Heavy Atoms | 11 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 70776-23-7 |
|---|---|
| SMILES | C(C#N)C(=O)OC(=O)CC#N |
| InChIKey | XOXXFRIKPZNUFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氰基乙酸1,1'-酸酐 (CAS 70776-23-7), with molecular formula C6H4N2O3 and molecular weight 152.02 g/mol. IUPAC: (2-cyanoacetyl) 2-cyanoacetate.
Chemical Property Profile of 2-氰基乙酸1,1'-酸酐
Property Insights of 2-氰基乙酸1,1'-酸酐
The XLogP value of -0.3 indicates that 2-氰基乙酸1,1'-酸酐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氰基乙酸1,1'-酸酐. Following Lipinski's Rule of Five, 2-氰基乙酸1,1'-酸酐 has 0 hydrogen bond donor(s) and 5 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 2-氰基乙酸1,1'-酸酐?
The CAS number of 2-氰基乙酸1,1'-酸酐 is 70776-23-7.
What is the molecular formula of 2-氰基乙酸1,1'-酸酐?
The molecular formula of 2-氰基乙酸1,1'-酸酐 is C6H4N2O3.
What is the molecular weight of 2-氰基乙酸1,1'-酸酐?
The molecular weight of 2-氰基乙酸1,1'-酸酐 is 152.02 g/mol.
Where can I buy 2-氰基乙酸1,1'-酸酐?
You can request a quote for 2-氰基乙酸1,1'-酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氰基乙酸1,1'-酸酐?
Yes, KEHONG BIO provides custom synthesis services for 2-氰基乙酸1,1'-酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.