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CAS 1204809-88-0 exo-8-Boc-8-azabicyclo[3.2.1]octane-3-carboxylic acid Methyl ester molecular structure lightbox
CAS RN: 1204809-88-0

exo-8-Boc-8-azabicyclo[3.2.1]octane-3-carboxylic acid Methyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251101 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-021501
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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: 1g, 0.25g, 0.1g, 5g
  • 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 1204809-88-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1204809-88-0 / 8-O-tert-butyl 3-O-methyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate

Exo-8-tert-butyl 3-methyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate | EXO-8-BOC-8-AZABICYCLO[3.2.1]OCTANE-3-CARBOXYLIC ACID METHYL ESTER | MFCD22415199

Standard CAS: 1204809-88-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1204809-88-0
Multi CAS
Yes
Molecular Formula
C14H23NO4
Molecular Weight
269.340000
Exact Mass
269.162708
SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(C2)C(=O)OC
InChI
InChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-10-5-6-11(15)8-9(7-10)12(16)18-4/h9-11H,5-8H2,1-4H3
InChIKey
AMBCTFGOVMCGIL-UHFFFAOYSA-N
Synonyms
Exo-8-tert-butyl 3-methyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate EXO-8-BOC-8-AZABICYCLO[3.2.1]OCTANE-3-CARBOXYLIC ACID METHYL ESTER MFCD22415199 MFCD31629674 endo-8-Azabicyclo[3.2.1]octane-3,8-dicarboxylic acid, 8-(1,1-dimethylethyl) 3-methyl ester

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
69.62
TPSA
55.84

LogP / Solubility

WLOGP
2.34
MLOGP
2.07
XLogP3
2.1
Consensus LogP
2.17
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

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

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