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CAS 2703745-91-7 Benzenemethanamine, 3-(difluoromethyl)-2-fluoro-α-methyl-, hydrochloride (1:1), (αS)- molecular structure lightbox
CAS RN: 2703745-91-7

Benzenemethanamine, 3-(difluoromethyl)-2-fluoro-α-methyl-, hydrochloride (1:1), (αS)-

Product Availability

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250530 100mg Out of stock Inquiry
Batchno.20250516 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250520 1g In stock Shanghai Inquiry
Batchno.20260309 250mg In stock Shanghai Inquiry
Batchno.20250715 5g Out of stock Inquiry
  • Product code: SSC-125659
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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 2703745-91-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2703745-91-7 / 1-[3-(difluoromethyl)-2-fluorophenyl]ethanamine;hydrochloride

Standard CAS: 2703745-91-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2703745-91-7
Multi CAS
No
Molecular Formula
C9H11ClF3N
Molecular Weight
225.640000
Exact Mass
225.053212
SMILES
CC(C1=C(C(=CC=C1)C(F)F)F)N.Cl
InChI
InChI=1S/C9H10F3N.ClH/c1-5(13)6-3-2-4-7(8(6)10)9(11)12;/h2-5,9H,13H2,1H3;1H
InChIKey
LMVWLMYIWIMIAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.21
TPSA
26.02

LogP / Solubility

WLOGP
3.2
MLOGP
2.82
XLogP3
3.2
Consensus LogP
3.07
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
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)
-1.82

Drug-likeness / Medicinal Chemistry

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

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