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CAS 885270-54-2 Tert-butyl 1,2,3,4-tetrahydroisoquinolin-7-ylcarbamate molecular structure lightbox
CAS RN: 885270-54-2

Tert-butyl 1,2,3,4-tetrahydroisoquinolin-7-ylcarbamate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250215 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-199297
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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 885270-54-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

885270-54-2 / tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamate

Standard CAS: 885270-54-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
885270-54-2
Multi CAS
Yes
Molecular Formula
C14H20N2O2
Molecular Weight
248.320000
Exact Mass
248.152478
InChI
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-5-4-10-6-7-15-9-11(10)8-12/h4-5,8,15H,6-7,9H2,1-3H3,(H,16,17)
InChIKey
VTTOWYHROSNYPM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.71
TPSA
50.36

LogP / Solubility

WLOGP
2.68
MLOGP
2.36
XLogP3
1.9
Consensus LogP
2.31
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly 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)
-2.33

Drug-likeness / Medicinal Chemistry

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

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