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CAS 1630906-30-7 tert-butyl 6-Methylidene-2-azaspiro[3.3]heptane-2-carboxylate molecular structure lightbox
CAS RN: 1630906-30-7

tert-butyl 6-Methylidene-2-azaspiro[3.3]heptane-2-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250822 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-070728
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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, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 1630906-30-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g >97% 1 In Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

1630906-30-7 / tert-butyl 6-methylidene-2-azaspiro[3.3]heptane-2-carboxylate

Standard CAS: 1630906-30-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1630906-30-7
Multi CAS
No
Molecular Formula
C12H19NO2
Molecular Weight
209.280000
Exact Mass
209.141579
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(=C)C2
InChI
InChI=1S/C12H19NO2/c1-9-5-12(6-9)7-13(8-12)10(14)15-11(2,3)4/h1,5-8H2,2-4H3
InChIKey
CBMMXWAEFJBHDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
58.61
TPSA
29.54

LogP / Solubility

WLOGP
2.57
MLOGP
2.27
XLogP3
1.8
Consensus LogP
2.21
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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