CAS RN: 6833-13-2
2-CHLOROBENZANILIDE
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.20250221 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS6833-13-2
- Purity/Analytical Methods: >99.0%
6833-13-2 / 2-chloro-N-phenylbenzamide
Basic Information
CAS
6833-13-2
Multi CAS
No
Molecular Formula
C13H10CLNO
Molecular Weight
231.680000
Exact Mass
231.045092
InChI
InChI=1S/C13H10ClNO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)
InChIKey
AXQVIWHAEYLGLO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.85
TPSA
29.1
LogP / Solubility
WLOGP
3.59
MLOGP
3.17
XLogP3
3.7
Consensus LogP
3.49
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.58
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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