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CAS 1212934-10-5 Benzonitrile, 3-[(1R)-1-aminoethyl]-4-fluoro- molecular structure lightbox
CAS RN: 1212934-10-5

Benzonitrile, 3-[(1R)-1-aminoethyl]-4-fluoro-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250220 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-023141
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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 1212934-10-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

1212934-10-5 / 3-[(1R)-1-aminoethyl]-4-fluorobenzonitrile

(R)-3-(1-aminoethyl)-4-fluorobenzonitrile | 3-[(1R)-1-aminoethyl]-4-fluoro-benzonitrile | 3-[(1R)-1-aminoethyl]-4-fluorobenzonitrile

Standard CAS: 1212934-10-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212934-10-5
Multi CAS
Yes
Molecular Formula
C9H9FN2
Molecular Weight
164.180000
Exact Mass
164.074976
SMILES
C[C@H](C1=C(C=CC(=C1)C#N)F)N
InChI
InChI=1S/C9H9FN2/c1-6(12)8-4-7(5-11)2-3-9(8)10/h2-4,6H,12H2,1H3/t6-/m1/s1
InChIKey
VUFKNZPRTMDINV-ZCFIWIBFSA-N
Synonyms
(R)-3-(1-aminoethyl)-4-fluorobenzonitrile 3-[(1R)-1-aminoethyl]-4-fluoro-benzonitrile 3-[(1R)-1-aminoethyl]-4-fluorobenzonitrile MFCD11507910 Benzonitrile, 3-[(1R)-1-aminoethyl]-4-fluoro-

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.72
TPSA
49.81

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
1
Consensus LogP
1.41
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately 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)
-2.5

Drug-likeness / Medicinal Chemistry

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

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