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CAS 1129634-44-1 (S)-5-BOC-5-AZASPIRO[2.4]HEPTANE-6-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 1129634-44-1

(S)-5-BOC-5-AZASPIRO[2.4]HEPTANE-6-CARBOXYLIC ACID

Product Availability

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7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250209 100g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250811 10g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250920 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260316 250mg / 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai 8-10 business days Inquiry
Batchno.20250912 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260130 500g Out of stock Inquiry
Batchno.20250520 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-013221
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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: 1g, 5g, 10g, 25g, 100g
  • 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 1129634-44-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

1129634-44-1 / (6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid

(6S)-5-[(tert-butoxy)carbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid | (6S)-5-((tert-butoxy)carbonyl)-5-azaspiro(2.4)heptane-6-carboxylic acid | RefChem:405248

Standard CAS: 1129634-44-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1129634-44-1
Multi CAS
Yes
Molecular Formula
C12H19NO4
Molecular Weight
241.280000
Exact Mass
241.131408
SMILES
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-7-12(4-5-12)6-8(13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKey
VEIYKHIPSJIVRK-QMMMGPOBSA-N
Synonyms
(6S)-5-[(tert-butoxy)carbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid (6S)-5-((tert-butoxy)carbonyl)-5-azaspiro(2.4)heptane-6-carboxylic acid RefChem:405248 824-641-8 (S)-5-(tert-Butoxycarbonyl)-5-azaspiro[2.4]heptane-6-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.65
TPSA
66.84

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
1.5
Consensus LogP
1.67
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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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