CAS RN: 4018-82-0
4-Chloro-N-(4-Methoxyphenyl)benzaMide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251012 | 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS4018-82-0
- Purity/Analytical Methods: >99.0%
4018-82-0 / 4-chloro-N-(4-methoxyphenyl)benzamide
Basic Information
CAS
4018-82-0
Multi CAS
Yes
Molecular Formula
C14H12CLNO2
Molecular Weight
261.700000
Exact Mass
261.055656
InChI
InChI=1S/C14H12ClNO2/c1-18-13-8-6-12(7-9-13)16-14(17)10-2-4-11(15)5-3-10/h2-9H,1H3,(H,16,17)
InChIKey
UVGPQLMHIRNFEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72.4
TPSA
38.33
LogP / Solubility
WLOGP
3.6
MLOGP
3.18
XLogP3
3.2
Consensus LogP
3.33
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
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)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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