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CAS 1119512-39-8 3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid 3-tert-butyl ester molecular structure lightbox
CAS RN: 1119512-39-8

3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid 3-tert-butyl ester

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250627 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250517 100mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260111 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250103 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250310 50mg In stock Shanghai Inquiry
Batchno.20250124 5g In stock Shanghai Inquiry
  • Product code: SSC-012428
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1119512-39-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

1119512-39-8 / 3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid | 3-((Tert-butoxy)carbonyl)-3-azabicyclo(3.1.0)hexane-6-carboxylic acid | RefChem:488959

Standard CAS: 1119512-39-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1119512-39-8
Multi CAS
No
Molecular Formula
C11H17NO4
Molecular Weight
227.260000
Exact Mass
227.115758
SMILES
CC(C)(C)OC(=O)N1CC2C(C1)C2C(=O)O
InChI
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-4-6-7(5-12)8(6)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKey
GYEQQDCMLKKYGG-UHFFFAOYSA-N
Synonyms
3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid 3-((Tert-butoxy)carbonyl)-3-azabicyclo(3.1.0)hexane-6-carboxylic acid RefChem:488959 867-257-6 3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.91
TPSA
66.84

LogP / Solubility

WLOGP
1.18
MLOGP
1.05
XLogP3
0.7
Consensus LogP
0.98
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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