tert-Butyl (1-cyano-2-hydroxyethyl)carbamate
TL;DR: tert-Butyl (1-cyano-2-hydroxyethyl)carbamate (CAS 130780-94-8) is a chemical compound with molecular formula C8H14N2O3 and molecular weight 186.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(1-cyano-2-hydroxyethyl)carbamate
Also Known As: tert-Butyl (1-cyano-2-hydroxyethyl)carbamate, tert-butyl N-(1-cyano-2-hydroxyethyl)carbamate, Carbamic acid, (1-cyano-2-hydroxyethyl)-, 1,1-dimethylethyl ester (9CI), Carbamicacid, -,1,1-dimethylethylester, tert-Butyl 1-cyano-2-hydroxyethylcarbamate
| Molecular Formula | C8H14N2O3 |
|---|---|
| Molecular Weight | 186.10 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 82.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.10045 |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 130780-94-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CO)C#N |
| InChIKey | SCRIBYVGGKOFTH-UHFFFAOYSA-N |
Product Overview
tert-Butyl (1-cyano-2-hydroxyethyl)carbamate (CAS 130780-94-8), with molecular formula C8H14N2O3 and molecular weight 186.10 g/mol. IUPAC: tert-butyl N-(1-cyano-2-hydroxyethyl)carbamate.
Chemical Property Profile of tert-Butyl (1-cyano-2-hydroxyethyl)carbamate
Property Insights of tert-Butyl (1-cyano-2-hydroxyethyl)carbamate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl (1-cyano-2-hydroxyethyl)carbamate. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl (1-cyano-2-hydroxyethyl)carbamate. Following Lipinski's Rule of Five, tert-Butyl (1-cyano-2-hydroxyethyl)carbamate has 2 hydrogen bond donor(s) and 4 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 tert-Butyl (1-cyano-2-hydroxyethyl)carbamate?
The CAS number of tert-Butyl (1-cyano-2-hydroxyethyl)carbamate is 130780-94-8.
What is the molecular formula of tert-Butyl (1-cyano-2-hydroxyethyl)carbamate?
The molecular formula of tert-Butyl (1-cyano-2-hydroxyethyl)carbamate is C8H14N2O3.
What is the molecular weight of tert-Butyl (1-cyano-2-hydroxyethyl)carbamate?
The molecular weight of tert-Butyl (1-cyano-2-hydroxyethyl)carbamate is 186.10 g/mol.
Where can I buy tert-Butyl (1-cyano-2-hydroxyethyl)carbamate?
You can request a quote for tert-Butyl (1-cyano-2-hydroxyethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl (1-cyano-2-hydroxyethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl (1-cyano-2-hydroxyethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.