2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate
TL;DR: 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate (CAS 7504-59-8) is a chemical compound with molecular formula C12H20N2O3S and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate
Also Known As: 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate, 2-[2-(Thiocyanato)ethoxy]ethyl cyclohexylcarbamate
| Molecular Formula | C12H20N2O3S |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 272.11948 |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 7504-59-8 |
|---|---|
| SMILES | C1CCC(CC1)NC(=O)OCCOCCSC#N |
| InChIKey | GQHWDKXKSDJPFR-UHFFFAOYSA-N |
Product Overview
2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate (CAS 7504-59-8), with molecular formula C12H20N2O3S and molecular weight 272.12 g/mol. IUPAC: 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate.
Chemical Property Profile of 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate
Property Insights of 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate. Following Lipinski's Rule of Five, 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate has 1 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-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate?
The CAS number of 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate is 7504-59-8.
What is the molecular formula of 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate?
The molecular formula of 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate is C12H20N2O3S.
What is the molecular weight of 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate?
The molecular weight of 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate is 272.12 g/mol.
Where can I buy 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate?
You can request a quote for 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.