Cyanic acid, 2,6-bis(1-methylethyl)phenyl ester
TL;DR: Cyanic acid, 2,6-bis(1-methylethyl)phenyl ester (CAS 6685-67-2) is a chemical compound with molecular formula C13H17NO and molecular weight 203.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-di(propan-2-yl)phenyl] cyanate
Also Known As: [2,6-di(propan-2-yl)phenyl] cyanate|2,6-Diisopropyl-Phenylcyanat|Cyanic acid, 2,6-bis(1-methylethyl)phenyl ester|2,6-Di(propan-2-yl)phenyl cyanate|2-cyanato-1,3-dipropan-2-yl-benzene|cyanic acid,2,6-bis(1-methylethyl)phenyl ester
| Molecular Formula | C13H17NO |
|---|---|
| Molecular Weight | 203.13 g/mol |
| LogP | 3.79328 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.13101 |
| Heavy Atoms | 15 |
| Complexity | 348.3626 |
Chemical Identifiers
| CAS Number | 6685-67-2 |
|---|---|
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)OC#N |
Product Overview
Cyanic acid, 2,6-bis(1-methylethyl)phenyl ester (CAS 6685-67-2), with molecular formula C13H17NO and molecular weight 203.13 g/mol. IUPAC: [2,6-di(propan-2-yl)phenyl] cyanate.
Chemical Property Profile of Cyanic acid, 2,6-bis(1-methylethyl)phenyl ester
Property Insights of Cyanic acid, 2,6-bis(1-methylethyl)phenyl ester
The XLogP value of 3.79328 indicates that Cyanic acid, 2,6-bis(1-methylethyl)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, Cyanic acid, 2,6-bis(1-methylethyl)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyanic acid, 2,6-bis(1-methylethyl)phenyl 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, 2,6-bis(1-methylethyl)phenyl ester?
The CAS number of Cyanic acid, 2,6-bis(1-methylethyl)phenyl ester is 6685-67-2.
What is the molecular formula of Cyanic acid, 2,6-bis(1-methylethyl)phenyl ester?
The molecular formula of Cyanic acid, 2,6-bis(1-methylethyl)phenyl ester is C13H17NO.
What is the molecular weight of Cyanic acid, 2,6-bis(1-methylethyl)phenyl ester?
The molecular weight of Cyanic acid, 2,6-bis(1-methylethyl)phenyl ester is 203.13 g/mol.
Where can I buy Cyanic acid, 2,6-bis(1-methylethyl)phenyl ester?
You can request a quote for Cyanic acid, 2,6-bis(1-methylethyl)phenyl 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, 2,6-bis(1-methylethyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyanic acid, 2,6-bis(1-methylethyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.