CAS RN: 897595-52-7
4-AMINO-N-(5-CHLORO-2-METHYLPHENYL)BENZAMIDE
- Product code: SSC-201794
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
897595-52-7 / 4-amino-N-(5-chloro-2-methylphenyl)benzamide
Basic Information
CAS
897595-52-7
Multi CAS
No
Molecular Formula
C14H13CLN2O
Molecular Weight
260.720000
Exact Mass
260.071641
InChI
InChI=1S/C14H13ClN2O/c1-9-2-5-11(15)8-13(9)17-14(18)10-3-6-12(16)7-4-10/h2-8H,16H2,1H3,(H,17,18)
InChIKey
RLSLGCUWGKXCHS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
75
TPSA
55.12
LogP / Solubility
WLOGP
3.48
MLOGP
3.07
XLogP3
2.8
Consensus LogP
3.12
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
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)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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