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CAS 1251004-19-9 Cis-Tert-Butyl6-Oxo-3-Azabicyclo[3.2.0]Heptane-3-Carboxylate(WX110073) molecular structure lightbox
CAS RN: 1251004-19-9

Cis-Tert-Butyl6-Oxo-3-Azabicyclo[3.2.0]Heptane-3-Carboxylate(WX110073)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260206 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-029686
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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
  • Available purity: >96%
  • Inventory rows with stock: 2
  • 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 1251004-19-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >96% 1 In Stock Beijing Inquiry
0.25g >96% 1 In Stock Shanghai Inquiry
1g >96% 0 Out of Stock Beijing Inquiry

1251004-19-9 / tert-butyl (1R,5S)-6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate

Standard CAS: 1251004-19-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1251004-19-9
Multi CAS
No
Molecular Formula
C11H17NO3
Molecular Weight
211.260000
Exact Mass
211.120843
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2CC(=O)[C@@H]2C1
InChI
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-5-7-4-9(13)8(7)6-12/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKey
SSFIFLZYPGAHGB-JGVFFNPUSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
54.41
TPSA
46.61

LogP / Solubility

WLOGP
1.44
MLOGP
1.27
XLogP3
0.6
Consensus LogP
1.1
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.98

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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