2'-Chloro-4-(diethylamino)benzoin
TL;DR: 2'-Chloro-4-(diethylamino)benzoin (CAS 76530-22-8) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-1-[4-(diethylamino)phenyl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone
Also Known As: 2'-Chloro-4-(diethylamino)benzoin, Ethanone, 1-(4-(diethylamino)phenyl)-2-hydroxy-2-(2-hydroxyphenyl)-, (2R)-1-(4-diethylaminophenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone, (2R)-1-[4-(diethylamino)phenyl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone, Ethanone, 1-[4-(diethylamino)phenyl]-2-hydroxy-2-(2-hydroxyphenyl)-
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 3.1547 |
| Topological Polar Surface Area | 60.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.15213 |
| Heavy Atoms | 22 |
| Complexity | 615.78546 |
Chemical Identifiers
| CAS Number | 76530-22-8 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=O)[C@@H](C2=CC=C(C=C2)O)O |
Product Overview
2'-Chloro-4-(diethylamino)benzoin (CAS 76530-22-8), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: (2R)-1-[4-(diethylamino)phenyl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone.
Chemical Property Profile of 2'-Chloro-4-(diethylamino)benzoin
Property Insights of 2'-Chloro-4-(diethylamino)benzoin
The XLogP value of 3.1547 indicates that 2'-Chloro-4-(diethylamino)benzoin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Chloro-4-(diethylamino)benzoin. Following Lipinski's Rule of Five, 2'-Chloro-4-(diethylamino)benzoin has 2 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'-Chloro-4-(diethylamino)benzoin?
The CAS number of 2'-Chloro-4-(diethylamino)benzoin is 76530-22-8.
What is the molecular formula of 2'-Chloro-4-(diethylamino)benzoin?
The molecular formula of 2'-Chloro-4-(diethylamino)benzoin is C18H21NO3.
What is the molecular weight of 2'-Chloro-4-(diethylamino)benzoin?
The molecular weight of 2'-Chloro-4-(diethylamino)benzoin is 299.15 g/mol.
Where can I buy 2'-Chloro-4-(diethylamino)benzoin?
You can request a quote for 2'-Chloro-4-(diethylamino)benzoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Chloro-4-(diethylamino)benzoin?
Yes, KEHONG BIO provides custom synthesis services for 2'-Chloro-4-(diethylamino)benzoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.