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CAS 370880-87-8 3-CBZ-3,6-DIAZABICYCLO[3.2.0]HEPTANE molecular structure lightbox
CAS RN: 370880-87-8

3-CBZ-3,6-DIAZABICYCLO[3.2.0]HEPTANE

  • Product code: SSC-144395
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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, 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 370880-87-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

370880-87-8 / benzyl (1R,5R)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

Standard CAS: 370880-87-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
370880-87-8
Multi CAS
Yes
Molecular Formula
C13H16N2O2
Molecular Weight
232.280000
Exact Mass
232.121178
InChI
InChI=1S/C13H16N2O2/c16-13(15-7-11-6-14-12(11)8-15)17-9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2
InChIKey
BCONCMOUSFKNCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.48
TPSA
41.57

LogP / Solubility

WLOGP
1.23
MLOGP
1.08
XLogP3
1.1
Consensus LogP
1.14
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately 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)
-3.27

Drug-likeness / Medicinal Chemistry

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

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