Cyanic acid, isobutyl ester
TL;DR: Cyanic acid, isobutyl ester (CAS 1768-25-8) is a chemical compound with molecular formula C5H9NO and molecular weight 99.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl cyanate
Also Known As: Isobutyl cyanate, isobutylcyanate, 2-methylpropyl cyanate, Cyanic acid, isobutyl ester, Cyanic acid isobutyl ester
| Molecular Formula | C5H9NO |
|---|---|
| Molecular Weight | 99.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 99.06841 |
| Heavy Atoms | 7 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 1768-25-8 |
|---|---|
| SMILES | CC(C)COC#N |
| InChIKey | MCYWEMHLHMUDBF-UHFFFAOYSA-N |
Product Overview
Cyanic acid, isobutyl ester (CAS 1768-25-8), with molecular formula C5H9NO and molecular weight 99.07 g/mol. IUPAC: 2-methylpropyl cyanate.
Chemical Property Profile of Cyanic acid, isobutyl ester
Property Insights of Cyanic acid, isobutyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanic acid, isobutyl ester. With a topological polar surface area (TPSA) of 33.0 Ų, Cyanic acid, isobutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyanic acid, isobutyl ester has 0 hydrogen bond donor(s) and 2 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 Cyanic acid, isobutyl ester?
The CAS number of Cyanic acid, isobutyl ester is 1768-25-8.
What is the molecular formula of Cyanic acid, isobutyl ester?
The molecular formula of Cyanic acid, isobutyl ester is C5H9NO.
What is the molecular weight of Cyanic acid, isobutyl ester?
The molecular weight of Cyanic acid, isobutyl ester is 99.07 g/mol.
Where can I buy Cyanic acid, isobutyl ester?
You can request a quote for Cyanic acid, isobutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanic acid, isobutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyanic acid, isobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.