4-cyano-N-hydroxy-benzenecarboximidoyl chloride
TL;DR: 4-cyano-N-hydroxy-benzenecarboximidoyl chloride (CAS 123476-70-0) is a chemical compound with molecular formula C8H5ClN2O and molecular weight 180.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-N-hydroxybenzenecarboximidoyl chloride
Also Known As: 4-cyano-N-hydroxy-benzenecarboximidoyl chloride, (Z)-4-CYANO-N-HYDROXYBENZENECARBONIMIDOYL CHLORIDE
| Molecular Formula | C8H5ClN2O |
|---|---|
| Molecular Weight | 180.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.00903 |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 123476-70-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C(=NO)Cl |
| InChIKey | RNZZMDCGNWXWRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-cyano-N-hydroxy-benzenecarboximidoyl chloride (CAS 123476-70-0), with molecular formula C8H5ClN2O and molecular weight 180.01 g/mol. IUPAC: 4-cyano-N-hydroxybenzenecarboximidoyl chloride.
Chemical Property Profile of 4-cyano-N-hydroxy-benzenecarboximidoyl chloride
Property Insights of 4-cyano-N-hydroxy-benzenecarboximidoyl chloride
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-cyano-N-hydroxy-benzenecarboximidoyl chloride. With a topological polar surface area (TPSA) of 56.4 Ų, 4-cyano-N-hydroxy-benzenecarboximidoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-cyano-N-hydroxy-benzenecarboximidoyl chloride has 1 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 4-cyano-N-hydroxy-benzenecarboximidoyl chloride?
The CAS number of 4-cyano-N-hydroxy-benzenecarboximidoyl chloride is 123476-70-0.
What is the molecular formula of 4-cyano-N-hydroxy-benzenecarboximidoyl chloride?
The molecular formula of 4-cyano-N-hydroxy-benzenecarboximidoyl chloride is C8H5ClN2O.
What is the molecular weight of 4-cyano-N-hydroxy-benzenecarboximidoyl chloride?
The molecular weight of 4-cyano-N-hydroxy-benzenecarboximidoyl chloride is 180.01 g/mol.
Where can I buy 4-cyano-N-hydroxy-benzenecarboximidoyl chloride?
You can request a quote for 4-cyano-N-hydroxy-benzenecarboximidoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-cyano-N-hydroxy-benzenecarboximidoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-cyano-N-hydroxy-benzenecarboximidoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.