2-氯-1-(2,3,4-三羟基苯基)乙酮
TL;DR: 2-氯-1-(2,3,4-三羟基苯基)乙酮 (CAS 17345-68-5) is a chemical compound with molecular formula C8H7ClO4 and molecular weight 202.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-1-(2,3,4-三羟基苯基)乙酮
2-chloro-1-(2,3,4-trihydroxyphenyl)ethanone
Also Known As: 2-chloro-1-(2,3,4-trihydroxyphenyl)ethanone, 2-Chloro-1-(2,3,4-trihydroxyphenyl)ethan-1-one, Norepinephrine Impurity 25, Ethanone, 2-chloro-1-(2,3,4-trihydroxyphenyl)-, omega-Chloro-2,3,4-trihydroxyacetophenone
| Molecular Formula | C8H7ClO4 |
|---|---|
| Molecular Weight | 202.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.00328 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 17345-68-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1C(=O)CCl)O)O)O |
| InChIKey | UTPCCKXIPAMQDD-UHFFFAOYSA-N |
Product Overview
2-氯-1-(2,3,4-三羟基苯基)乙酮 (CAS 17345-68-5), with molecular formula C8H7ClO4 and molecular weight 202.00 g/mol. IUPAC: 2-chloro-1-(2,3,4-trihydroxyphenyl)ethanone.
Chemical Property Profile of 2-氯-1-(2,3,4-三羟基苯基)乙酮
Property Insights of 2-氯-1-(2,3,4-三羟基苯基)乙酮
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-1-(2,3,4-三羟基苯基)乙酮. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氯-1-(2,3,4-三羟基苯基)乙酮. Following Lipinski's Rule of Five, 2-氯-1-(2,3,4-三羟基苯基)乙酮 has 3 hydrogen bond donor(s) and 4 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 2-氯-1-(2,3,4-三羟基苯基)乙酮?
The CAS number of 2-氯-1-(2,3,4-三羟基苯基)乙酮 is 17345-68-5.
What is the molecular formula of 2-氯-1-(2,3,4-三羟基苯基)乙酮?
The molecular formula of 2-氯-1-(2,3,4-三羟基苯基)乙酮 is C8H7ClO4.
What is the molecular weight of 2-氯-1-(2,3,4-三羟基苯基)乙酮?
The molecular weight of 2-氯-1-(2,3,4-三羟基苯基)乙酮 is 202.00 g/mol.
Where can I buy 2-氯-1-(2,3,4-三羟基苯基)乙酮?
You can request a quote for 2-氯-1-(2,3,4-三羟基苯基)乙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-1-(2,3,4-三羟基苯基)乙酮?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-1-(2,3,4-三羟基苯基)乙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.