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CAS 1934303-80-6 3-Azabicyclo[3.1.1]heptane-3,6-dicarboxylic acid, 3-(1,1-dimethylethyl) ester, (1α,5α,6α)- molecular structure lightbox
CAS RN: 1934303-80-6

3-Azabicyclo[3.1.1]heptane-3,6-dicarboxylic acid, 3-(1,1-dimethylethyl) ester, (1α,5α,6α)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260618 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-090789
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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: >97%
  • Inventory rows with stock: 3
  • 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 1934303-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Shanghai Inquiry

1934303-80-6 / (1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-6-carboxylic acid

Standard CAS: 1934303-80-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1934303-80-6
Multi CAS
No
Molecular Formula
C12H19NO4
Molecular Weight
241.280000
Exact Mass
241.131408
SMILES
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)C2C(=O)O
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-5-7-4-8(6-13)9(7)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8+,9?
InChIKey
OQCJMHMUVJXYQH-JVHMLUBASA-N

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
60.53
TPSA
66.84

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
1.1
Consensus LogP
1.35
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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