5-氯-2-羟基苯甲醛肟
TL;DR: 5-氯-2-羟基苯甲醛肟 (CAS 87974-49-0) is a chemical compound with molecular formula C7H6ClNO2 and molecular weight 171.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氯-2-羟基苯甲醛肟
4-chloro-2-(hydroxyiminomethyl)phenol
Also Known As: 5-Chlorosalicylaldoxime, 5-chloro-2-hydroxybenzaldoxime, Benzaldehyde, 5-chloro-2-hydroxy-, oxime, 5-chloro-2-hydroxybenzaldehyde oxime, 4-chloro-2-[(hydroxyimino)methyl]phenol
| Molecular Formula | C7H6ClNO2 |
|---|---|
| Molecular Weight | 171.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.00871 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 87974-49-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C=NO)O |
| InChIKey | FXAILOLNECSGMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氯-2-羟基苯甲醛肟 (CAS 87974-49-0), with molecular formula C7H6ClNO2 and molecular weight 171.01 g/mol. IUPAC: 4-chloro-2-(hydroxyiminomethyl)phenol.
Chemical Property Profile of 5-氯-2-羟基苯甲醛肟
Property Insights of 5-氯-2-羟基苯甲醛肟
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氯-2-羟基苯甲醛肟. With a topological polar surface area (TPSA) of 52.8 Ų, 5-氯-2-羟基苯甲醛肟 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氯-2-羟基苯甲醛肟 has 2 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 5-氯-2-羟基苯甲醛肟?
The CAS number of 5-氯-2-羟基苯甲醛肟 is 87974-49-0.
What is the molecular formula of 5-氯-2-羟基苯甲醛肟?
The molecular formula of 5-氯-2-羟基苯甲醛肟 is C7H6ClNO2.
What is the molecular weight of 5-氯-2-羟基苯甲醛肟?
The molecular weight of 5-氯-2-羟基苯甲醛肟 is 171.01 g/mol.
Where can I buy 5-氯-2-羟基苯甲醛肟?
You can request a quote for 5-氯-2-羟基苯甲醛肟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯-2-羟基苯甲醛肟?
Yes, KEHONG BIO provides custom synthesis services for 5-氯-2-羟基苯甲醛肟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.