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CAS 133865-88-0 (2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide molecular structure lightbox
CAS RN: 133865-88-0

(2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260331 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-040898
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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: ＞97%
  • 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 133865-88-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

133865-88-0 / (2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide

Standard CAS: 133865-88-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133865-88-0
Multi CAS
No
Molecular Formula
C17H19FN2O2
Molecular Weight
302.340000
Exact Mass
302.143056
SMILES
C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC=CC=C2F
InChI
InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-6-8-15(9-7-13)22-11-14-4-2-3-5-16(14)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
InChIKey
BHJIBOFHEFDSAU-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
82.67
TPSA
64.35

LogP / Solubility

WLOGP
2.37
MLOGP
2.1
XLogP3
2.2
Consensus LogP
2.22
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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