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CAS 1272754-45-6 (3S)-5-(TRIFLUOROMETHYL)-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE molecular structure lightbox
CAS RN: 1272754-45-6

(3S)-5-(TRIFLUOROMETHYL)-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE

  • Product code: SSC-034755
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1272754-45-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shanghai Inquiry

1272754-45-6 / (3S)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine

Standard CAS: 1272754-45-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1272754-45-6
Multi CAS
No
Molecular Formula
C9H8F3NO
Molecular Weight
203.160000
Exact Mass
203.055798
SMILES
C1[C@H](C2=C(O1)C=CC(=C2)C(F)(F)F)N
InChI
InChI=1S/C9H8F3NO/c10-9(11,12)5-1-2-8-6(3-5)7(13)4-14-8/h1-3,7H,4,13H2/t7-/m1/s1
InChIKey
IWDYFMAZOKVBNW-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.87
TPSA
35.25

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
1.4
Consensus LogP
1.78
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.47

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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