3-氯-4-羟基苯甲醛肟
TL;DR: 3-氯-4-羟基苯甲醛肟 (CAS 34184-94-6) 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.
3-氯-4-羟基苯甲醛肟
2-chloro-4-(hydroxyiminomethyl)phenol
Also Known As: 3-Chloro-4-hydroxybenzaldehyde oxime, 2-chloro-4-[(hydroxyimino)methyl]phenol, BENZALDEHYDE,3-CHLORO-4-HYDROXY-,OXIME, BENZALDEHYDE, 3-CHLORO-4-HYDROXY-, OXIME, (4Z)-2-chloro-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one
| 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 | 34184-94-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=NO)Cl)O |
| InChIKey | XSPLRAHQLRUPNU-UHFFFAOYSA-N |
Product Overview
3-氯-4-羟基苯甲醛肟 (CAS 34184-94-6), with molecular formula C7H6ClNO2 and molecular weight 171.01 g/mol. IUPAC: 2-chloro-4-(hydroxyiminomethyl)phenol.
Chemical Property Profile of 3-氯-4-羟基苯甲醛肟
Property Insights of 3-氯-4-羟基苯甲醛肟
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯-4-羟基苯甲醛肟. With a topological polar surface area (TPSA) of 52.8 Ų, 3-氯-4-羟基苯甲醛肟 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯-4-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 3-氯-4-羟基苯甲醛肟?
The CAS number of 3-氯-4-羟基苯甲醛肟 is 34184-94-6.
What is the molecular formula of 3-氯-4-羟基苯甲醛肟?
The molecular formula of 3-氯-4-羟基苯甲醛肟 is C7H6ClNO2.
What is the molecular weight of 3-氯-4-羟基苯甲醛肟?
The molecular weight of 3-氯-4-羟基苯甲醛肟 is 171.01 g/mol.
Where can I buy 3-氯-4-羟基苯甲醛肟?
You can request a quote for 3-氯-4-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 3-氯-4-羟基苯甲醛肟?
Yes, KEHONG BIO provides custom synthesis services for 3-氯-4-羟基苯甲醛肟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.