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CAS 1257855-77-8 N-boc-7-trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline molecular structure lightbox
CAS RN: 1257855-77-8

N-boc-7-trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251016 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-031098
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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: 5g
  • 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 1257855-77-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1257855-77-8 / tert-butyl 7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Standard CAS: 1257855-77-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1257855-77-8
Multi CAS
No
Molecular Formula
C15H18F3NO2
Molecular Weight
301.300000
Exact Mass
301.128963
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)C(F)(F)F
InChI
InChI=1S/C15H18F3NO2/c1-14(2,3)21-13(20)19-7-6-10-4-5-12(15(16,17)18)8-11(10)9-19/h4-5,8H,6-7,9H2,1-3H3
InChIKey
OIHPOPICHOVJKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
71.79
TPSA
29.54

LogP / Solubility

WLOGP
4
MLOGP
3.53
XLogP3
3.5
Consensus LogP
3.68
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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