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CAS 138647-49-1 1-(tertbutoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yltrifluoromethanesulfonate molecular structure lightbox
CAS RN: 138647-49-1

1-(tertbutoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yltrifluoromethanesulfonate

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250216 100g In stock Shanghai Inquiry
Batchno.20260131 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260619 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250818 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251201 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20250903 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250721 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-048626
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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, 5g, 10g, 25g
  • 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 138647-49-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

138647-49-1 / tert-butyl 4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate

Standard CAS: 138647-49-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
138647-49-1
Multi CAS
No
Molecular Formula
C11H16F3NO5S
Molecular Weight
331.310000
Exact Mass
331.070128
SMILES
CC(C)(C)OC(=O)N1CCC(=CC1)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C11H16F3NO5S/c1-10(2,3)19-9(16)15-6-4-8(5-7-15)20-21(17,18)11(12,13)14/h4H,5-7H2,1-3H3
InChIKey
WUBVEMGCQRSBBT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
66.57
TPSA
72.91

LogP / Solubility

WLOGP
2.38
MLOGP
2.11
XLogP3
2.3
Consensus LogP
2.26
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
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
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (83.3%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (83.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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