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CAS 827599-20-2 Ethyl endo-3-Boc-3-azabicyclo-[3.1.0]hexane-6-carboxylate molecular structure lightbox
CAS RN: 827599-20-2

Ethyl endo-3-Boc-3-azabicyclo-[3.1.0]hexane-6-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260621 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-190812
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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 827599-20-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

827599-20-2 / 3-O-tert-butyl 6-O-ethyl 3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate

Standard CAS: 827599-20-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
827599-20-2
Multi CAS
Yes
Molecular Formula
C13H21NO4
Molecular Weight
255.310000
Exact Mass
255.147058
InChI
InChI=1S/C13H21NO4/c1-5-17-11(15)10-8-6-14(7-9(8)10)12(16)18-13(2,3)4/h8-10H,5-7H2,1-4H3/t8-,9+,10?
InChIKey
SESCEXYKMJZFEE-ULKQDVFKSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
64.91
TPSA
55.84

LogP / Solubility

WLOGP
1.66
MLOGP
1.47
XLogP3
1.4
Consensus LogP
1.51
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1

Drug-likeness / Medicinal Chemistry

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

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