Diethyl 2-isocyanatopentanedioate
TL;DR: Diethyl 2-isocyanatopentanedioate (CAS 145080-95-1) is a chemical compound with molecular formula C10H15NO5 and molecular weight 229.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-isocyanatopentanedioate
Also Known As: diethyl 2-isocyanatopentanedioate, Diethyl (S)-(-)-2-Isocyanatoglutarate, diethyl2-isocyanatopentanedioate, 2-isocyanatopentanedioic acid diethyl ester, Diethyl N-(oxomethylidene)glutamate
| Molecular Formula | C10H15NO5 |
|---|---|
| Molecular Weight | 229.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 229.09502 |
| Heavy Atoms | 16 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 145080-95-1 |
|---|---|
| SMILES | CCOC(=O)CCC(C(=O)OCC)N=C=O |
| InChIKey | TZTLQVZEVNEAQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-isocyanatopentanedioate (CAS 145080-95-1), with molecular formula C10H15NO5 and molecular weight 229.10 g/mol. IUPAC: diethyl 2-isocyanatopentanedioate.
Chemical Property Profile of Diethyl 2-isocyanatopentanedioate
Property Insights of Diethyl 2-isocyanatopentanedioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-isocyanatopentanedioate. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-isocyanatopentanedioate. Following Lipinski's Rule of Five, Diethyl 2-isocyanatopentanedioate has 0 hydrogen bond donor(s) and 6 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-isocyanatopentanedioate?
The CAS number of Diethyl 2-isocyanatopentanedioate is 145080-95-1.
What is the molecular formula of Diethyl 2-isocyanatopentanedioate?
The molecular formula of Diethyl 2-isocyanatopentanedioate is C10H15NO5.
What is the molecular weight of Diethyl 2-isocyanatopentanedioate?
The molecular weight of Diethyl 2-isocyanatopentanedioate is 229.10 g/mol.
Where can I buy Diethyl 2-isocyanatopentanedioate?
You can request a quote for Diethyl 2-isocyanatopentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-isocyanatopentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-isocyanatopentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.