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CAS 852940-46-6 N-(1,3-benzothiazol-2-ylMethyl)-N-MethylaMine molecular structure lightbox
CAS RN: 852940-46-6

N-(1,3-benzothiazol-2-ylMethyl)-N-MethylaMine

  • Product code: SSC-193637
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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: 0.25g
  • 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 852940-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

852940-46-6 / 2-chloro-N-[4-(difluoromethoxy)phenyl]propanamide

Standard CAS: 852940-46-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
852940-46-6
Multi CAS
No
Molecular Formula
C10H10CLF2NO2
Molecular Weight
249.640000
Exact Mass
249.036813
InChI
InChI=1S/C10H10ClF2NO2/c1-6(11)9(15)14-7-2-4-8(5-3-7)16-10(12)13/h2-6,10H,1H3,(H,14,15)
InChIKey
GNQBJAWLGMRITK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.02
TPSA
38.33

LogP / Solubility

WLOGP
2.85
MLOGP
2.52
XLogP3
3
Consensus LogP
2.79
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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