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CAS 1165450-63-4 (1R,5R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid molecular structure lightbox
CAS RN: 1165450-63-4

(1R,5R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260316 100mg In stock Shanghai Inquiry
Batchno.20260623 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250615 1g Out of stock Inquiry
Batchno.20260214 250mg In stock Shanghai Inquiry
  • Product code: SSC-016524
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥98%
  • 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 1165450-63-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 0 Out of Stock Hong Kong Inquiry
0.25g ≥98% 0 Out of Stock Hong Kong Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

1165450-63-4 / (1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

3-BOC-3-AZABICYCLO[3.1.0]HEXANE-1-CARBOXYLIC ACID | MFCD22566159 | 3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

Standard CAS: 1165450-63-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1165450-63-4
Multi CAS
Yes
Molecular Formula
C11H17NO4
Molecular Weight
227.260000
Exact Mass
227.115758
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C1)C(=O)O
InChI
InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-5-7-4-11(7,6-12)8(13)14/h7H,4-6H2,1-3H3,(H,13,14)/t7-,11-/m0/s1
InChIKey
OUTDFRNFTVGFRQ-CPCISQLKSA-N
Synonyms
3-BOC-3-AZABICYCLO[3.1.0]HEXANE-1-CARBOXYLIC ACID MFCD22566159 3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid 3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid 3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-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
55.98
TPSA
66.84

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
0.6
Consensus LogP
1.03
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-3.16

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 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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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