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CAS 669091-09-2 Benzamide, N-(2-hydroxyphenyl)-3-methoxy-4-methyl- (9CI) molecular structure lightbox
CAS RN: 669091-09-2

Benzamide, N-(2-hydroxyphenyl)-3-methoxy-4-methyl- (9CI)

  • Product code: SSC-176581
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 669091-09-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

669091-09-2 / N-(2-hydroxyphenyl)-3-methoxy-4-methylbenzamide

Standard CAS: 669091-09-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
669091-09-2
Multi CAS
No
Molecular Formula
C15H15NO3
Molecular Weight
257.280000
Exact Mass
257.105193
InChI
InChI=1S/C15H15NO3/c1-10-7-8-11(9-14(10)19-2)15(18)16-12-5-3-4-6-13(12)17/h3-9,17H,1-2H3,(H,16,18)
InChIKey
BJUMMRWLPYYVGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
73.79
TPSA
58.56

LogP / Solubility

WLOGP
2.96
MLOGP
2.61
XLogP3
2.7
Consensus LogP
2.76
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
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)
-2.19

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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