![CAS 41859-57-8 4-Chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c2309-jpgcontextbwfzdgvyfhjvb3r8mzexmzv8aw1hz2uvanblz3xozjuvada3lzg5mjk1mjixntu1ntavqzizmdkuanbnfgmwnwq3zmyynzq4ngi1ota2mjiyowy3njy3yzlmzjm2nmi5mwiyntqwnty4mtmxmtqzndkymzkyodnmyju4zgu.jpeg)
CAS RN: 41859-57-8
4-Chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250615 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: ICTC2309
- Purity/Analytical Methods: >98.0%(HPLC)(N)
41859-57-8 / 4-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
Basic Information
CAS
41859-57-8
Multi CAS
No
Molecular Formula
C15H14CLNO2
Molecular Weight
275.730000
Exact Mass
275.071306
InChI
InChI=1S/C15H14ClNO2/c16-13-5-3-12(4-6-13)15(19)17-10-9-11-1-7-14(18)8-2-11/h1-8,18H,9-10H2,(H,17,19)
InChIKey
ZTLWJYCDAXUIBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
75.6
TPSA
49.33
LogP / Solubility
WLOGP
3.02
MLOGP
2.67
XLogP3
3.4
Consensus LogP
3.03
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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