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CAS 605655-08-1 1-BOC-3-(TOLUENE-4-SULFONYLOXY)-AZETIDINE molecular structure lightbox
CAS RN: 605655-08-1

1-BOC-3-(TOLUENE-4-SULFONYLOXY)-AZETIDINE

  • Product code: SSC-169174
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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 605655-08-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

605655-08-1 / tert-butyl 3-(4-methylphenyl)sulfonyloxyazetidine-1-carboxylate

Standard CAS: 605655-08-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
605655-08-1
Multi CAS
No
Molecular Formula
C15H21NO5S
Molecular Weight
327.400000
Exact Mass
327.114044
InChI
InChI=1S/C15H21NO5S/c1-11-5-7-13(8-6-11)22(18,19)21-12-9-16(10-12)14(17)20-15(2,3)4/h5-8,12H,9-10H2,1-4H3
InChIKey
RIOKPEBUTRGTEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
81.04
TPSA
72.91

LogP / Solubility

WLOGP
2.32
MLOGP
2.06
XLogP3
2.3
Consensus LogP
2.23
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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)
-3.07

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

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