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CAS 123652-95-9 3-FLUORO-4-METHOXYBENZYLAMINE molecular structure lightbox
CAS RN: 123652-95-9

3-FLUORO-4-METHOXYBENZYLAMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250901 5g / 10g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-027399
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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, 5g, 10g, 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 123652-95-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

123652-95-9 / (3-fluoro-4-methoxyphenyl)methanamine

Standard CAS: 123652-95-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
123652-95-9
Multi CAS
No
Molecular Formula
C8H10FNO
Molecular Weight
155.170000
Exact Mass
155.074642
SMILES
COC1=C(C=C(C=C1)CN)F
InChI
InChI=1S/C8H10FNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5,10H2,1H3
InChIKey
AZHAJNNLBSKSOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.84
TPSA
35.25

LogP / Solubility

WLOGP
1.29
MLOGP
1.13
XLogP3
0.9
Consensus LogP
1.11
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
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)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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