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CAS 1575836-95-1 1-Boc-6’-chloro-1’H-spiro[azetidine-3,3’-furo[3,4-c]pyridine molecular structure lightbox
CAS RN: 1575836-95-1

1-Boc-6’-chloro-1’H-spiro[azetidine-3,3’-furo[3,4-c]pyridine

  • Product code: SSC-066461
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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: 0.25g
  • 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 1575836-95-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1575836-95-1 / tert-butyl 6-chlorospiro[1H-furo[3,4-c]pyridine-3,3'-azetidine]-1'-carboxylate

Standard CAS: 1575836-95-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1575836-95-1
Multi CAS
No
Molecular Formula
C14H17ClN2O3
Molecular Weight
296.750000
Exact Mass
296.092770
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C3=CN=C(C=C3CO2)Cl
InChI
InChI=1S/C14H17ClN2O3/c1-13(2,3)20-12(18)17-7-14(8-17)10-5-16-11(15)4-9(10)6-19-14/h4-5H,6-8H2,1-3H3
InChIKey
BBANLTXRKOILMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
73.52
TPSA
51.66

LogP / Solubility

WLOGP
2.71
MLOGP
2.4
XLogP3
1.6
Consensus LogP
2.24
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

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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