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CAS 500556-91-2 (1R,2S,4S)-7-Azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid 7-tert-butyl ester molecular structure lightbox
CAS RN: 500556-91-2

(1R,2S,4S)-7-Azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid 7-tert-butyl ester

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260308 100mg Out of stock 15 business days Inquiry
Batchno.20250924 100mg In stock Shanghai Inquiry
Batchno.20250819 10g In stock Shanghai Inquiry
Batchno.20260613 1g In stock Shanghai Inquiry
Batchno.20250520 250mg In stock Shanghai Inquiry
Batchno.20250427 5g In stock Shanghai Inquiry
  • Product code: SSC-156370
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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: 5g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • 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 500556-91-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 2 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

500556-91-2 / 7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

Standard CAS: 500556-91-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
500556-91-2
Multi CAS
Yes
Molecular Formula
C12H19NO4
Molecular Weight
241.280000
Exact Mass
241.131408
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-7-4-5-9(13)8(6-7)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8-,9+/m0/s1
InChIKey
XRDRXGVDCVQVPV-XHNCKOQMSA-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
60.63
TPSA
66.84

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
1.4
Consensus LogP
1.63
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
5

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