Diethyl 2-cyanosuccinate
TL;DR: Diethyl 2-cyanosuccinate (CAS 10365-62-5) is a chemical compound with molecular formula C9H13NO4 and molecular weight 199.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-cyanobutanedioate
Also Known As: diethyl 2-cyanosuccinate, diethyl 2-cyanobutanedioate, 2-Cyano-succinic acid diethyl ester, diethyl2-cyanosuccinate, diethyl alpha-cyanosuccinate
| Molecular Formula | C9H13NO4 |
|---|---|
| Molecular Weight | 199.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 199.08446 |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 10365-62-5 |
|---|---|
| SMILES | CCOC(=O)CC(C#N)C(=O)OCC |
| InChIKey | BYBZRPDCTRBPTM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-cyanosuccinate (CAS 10365-62-5), with molecular formula C9H13NO4 and molecular weight 199.08 g/mol. IUPAC: diethyl 2-cyanobutanedioate.
Chemical Property Profile of Diethyl 2-cyanosuccinate
Property Insights of Diethyl 2-cyanosuccinate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-cyanosuccinate. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-cyanosuccinate. Following Lipinski's Rule of Five, Diethyl 2-cyanosuccinate 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 Diethyl 2-cyanosuccinate?
The CAS number of Diethyl 2-cyanosuccinate is 10365-62-5.
What is the molecular formula of Diethyl 2-cyanosuccinate?
The molecular formula of Diethyl 2-cyanosuccinate is C9H13NO4.
What is the molecular weight of Diethyl 2-cyanosuccinate?
The molecular weight of Diethyl 2-cyanosuccinate is 199.08 g/mol.
Where can I buy Diethyl 2-cyanosuccinate?
You can request a quote for Diethyl 2-cyanosuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-cyanosuccinate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-cyanosuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.