4-Chlorophenyl cyanate
TL;DR: 4-Chlorophenyl cyanate (CAS 1124-59-0) is a chemical compound with molecular formula C7H4ClNO and molecular weight 153.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) cyanate
Also Known As: 4-chlorophenyl cyanate, (4-chlorophenyl) cyanate, 1-chloro-4-cyanatobenzene, cyanic acid, 4-chlorophenyl ester, 1-CHLORO-4-CYANATO-BENZENE
| Molecular Formula | C7H4ClNO |
|---|---|
| Molecular Weight | 153.00 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.99814 |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 1124-59-0 |
|---|---|
| SMILES | C1=CC(=CC=C1OC#N)Cl |
| InChIKey | BDVNNPOIBWADPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorophenyl cyanate (CAS 1124-59-0), with molecular formula C7H4ClNO and molecular weight 153.00 g/mol. IUPAC: (4-chlorophenyl) cyanate.
Chemical Property Profile of 4-Chlorophenyl cyanate
Property Insights of 4-Chlorophenyl cyanate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorophenyl cyanate. With a topological polar surface area (TPSA) of 33.0 Ų, 4-Chlorophenyl cyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl cyanate 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 4-Chlorophenyl cyanate?
The CAS number of 4-Chlorophenyl cyanate is 1124-59-0.
What is the molecular formula of 4-Chlorophenyl cyanate?
The molecular formula of 4-Chlorophenyl cyanate is C7H4ClNO.
What is the molecular weight of 4-Chlorophenyl cyanate?
The molecular weight of 4-Chlorophenyl cyanate is 153.00 g/mol.
Where can I buy 4-Chlorophenyl cyanate?
You can request a quote for 4-Chlorophenyl cyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl cyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl cyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.