Diethyl l-2-isothiocyanatoglutarate
TL;DR: Diethyl l-2-isothiocyanatoglutarate (CAS 58560-28-4) is a chemical compound with molecular formula C10H15NO4S and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (2S)-2-isothiocyanatopentanedioate
Also Known As: diethyl l-2-isothiocyanatoglutarate, Diethyl 2-isothiocyanatoglutarate, diethyl (2S)-2-isothiocyanatopentanedioate, 6090AE, Pentanedioic acid, 2-isothiocyanato-, diethyl ester
| Molecular Formula | C10H15NO4S |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 1.3642 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 245.07217 |
| Heavy Atoms | 16 |
| Complexity | 286.5436 |
Chemical Identifiers
| CAS Number | 58560-28-4 |
|---|---|
| SMILES | CCOC(=O)CC[C@@H](C(=O)OCC)N=C=S |
Product Overview
Diethyl l-2-isothiocyanatoglutarate (CAS 58560-28-4), with molecular formula C10H15NO4S and molecular weight 245.07 g/mol. IUPAC: diethyl (2S)-2-isothiocyanatopentanedioate.
Chemical Property Profile of Diethyl l-2-isothiocyanatoglutarate
Property Insights of Diethyl l-2-isothiocyanatoglutarate
The XLogP value of 1.3642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl l-2-isothiocyanatoglutarate. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl l-2-isothiocyanatoglutarate. Following Lipinski's Rule of Five, Diethyl l-2-isothiocyanatoglutarate 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 l-2-isothiocyanatoglutarate?
The CAS number of Diethyl l-2-isothiocyanatoglutarate is 58560-28-4.
What is the molecular formula of Diethyl l-2-isothiocyanatoglutarate?
The molecular formula of Diethyl l-2-isothiocyanatoglutarate is C10H15NO4S.
What is the molecular weight of Diethyl l-2-isothiocyanatoglutarate?
The molecular weight of Diethyl l-2-isothiocyanatoglutarate is 245.07 g/mol.
Where can I buy Diethyl l-2-isothiocyanatoglutarate?
You can request a quote for Diethyl l-2-isothiocyanatoglutarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl l-2-isothiocyanatoglutarate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl l-2-isothiocyanatoglutarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.