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CAS 2010218-26-3 4-{[(tert-butoxy)carbonyl]amino}-2-oxabicyclo[2.2.2]octane-1-carboxylic acid molecular structure lightbox
CAS RN: 2010218-26-3

4-{[(tert-butoxy)carbonyl]amino}-2-oxabicyclo[2.2.2]octane-1-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251005 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-094867
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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: 0.05g, 0.1g, 0.25g, 1g
  • 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 2010218-26-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 1 In Stock Beijing Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

2010218-26-3 / 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.2.2]octane-1-carboxylic acid

Standard CAS: 2010218-26-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
2010218-26-3
Multi CAS
No
Molecular Formula
C13H21NO5
Molecular Weight
271.310000
Exact Mass
271.141973
SMILES
CC(C)(C)OC(=O)NC12CCC(CC1)(OC2)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-11(2,3)19-10(17)14-12-4-6-13(7-5-12,9(15)16)18-8-12/h4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
ATWNWSCQWJSLIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
66.89
TPSA
84.86

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
1.1
Consensus LogP
1.42
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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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