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CAS 1217790-09-4 Trans-3-Exo-((Tert-Butoxycarbonyl)Amino)Bicyclo[2.2.1]Heptane-2-Endo-Carboxylic Acid molecular structure lightbox
CAS RN: 1217790-09-4

Trans-3-Exo-((Tert-Butoxycarbonyl)Amino)Bicyclo[2.2.1]Heptane-2-Endo-Carboxylic Acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250327 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-024526
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1217790-09-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1217790-09-4 / (1R,2R,3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]heptane-2-carboxylic acid

Standard CAS: 1217790-09-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217790-09-4
Multi CAS
No
Molecular Formula
C13H21NO4
Molecular Weight
255.310000
Exact Mass
255.147058
SMILES
CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O
InChI
InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-10-8-5-4-7(6-8)9(10)11(15)16/h7-10H,4-6H2,1-3H3,(H,14,17)(H,15,16)/t7-,8+,9-,10-/m1/s1
InChIKey
BWIMUIWFDXMFLE-UTINFBMNSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.11
TPSA
75.63

LogP / Solubility

WLOGP
2.01
MLOGP
1.78
XLogP3
2.4
Consensus LogP
2.06
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5.5

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