1-Methylethyl cyanoformate
TL;DR: 1-Methylethyl cyanoformate (CAS 59873-32-4) is a chemical compound with molecular formula C5H7NO2 and molecular weight 113.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl cyanoformate
Also Known As: isopropyl cyanoformate, propan-2-yl cyanoformate, 1-methylethyl cyanoformate, Propan-2-yl carbonocyanidate, Cyanoameisensaeureisopropylester
| Molecular Formula | C5H7NO2 |
|---|---|
| Molecular Weight | 113.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 113.047676 |
| Heavy Atoms | 8 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 59873-32-4 |
|---|---|
| SMILES | CC(C)OC(=O)C#N |
| InChIKey | MLLYPIKBTHTPEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylethyl cyanoformate (CAS 59873-32-4), with molecular formula C5H7NO2 and molecular weight 113.05 g/mol. IUPAC: propan-2-yl cyanoformate.
Chemical Property Profile of 1-Methylethyl cyanoformate
Property Insights of 1-Methylethyl cyanoformate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylethyl cyanoformate. With a topological polar surface area (TPSA) of 50.1 Ų, 1-Methylethyl cyanoformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylethyl cyanoformate has 0 hydrogen bond donor(s) and 3 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 1-Methylethyl cyanoformate?
The CAS number of 1-Methylethyl cyanoformate is 59873-32-4.
What is the molecular formula of 1-Methylethyl cyanoformate?
The molecular formula of 1-Methylethyl cyanoformate is C5H7NO2.
What is the molecular weight of 1-Methylethyl cyanoformate?
The molecular weight of 1-Methylethyl cyanoformate is 113.05 g/mol.
Where can I buy 1-Methylethyl cyanoformate?
You can request a quote for 1-Methylethyl cyanoformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylethyl cyanoformate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylethyl cyanoformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.