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CAS 1638771-49-9 3-(((tert-Butoxycarbonyl)amino)methyl)bicyclo[1.1.1]pentane-1-carboxylic acid molecular structure lightbox
CAS RN: 1638771-49-9

3-(((tert-Butoxycarbonyl)amino)methyl)bicyclo[1.1.1]pentane-1-carboxylic acid

Product Availability

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3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251204 100mg Out of stock Inquiry
Batchno.20260620 250mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250111 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-071462
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 1638771-49-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

1638771-49-9 / 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid

Standard CAS: 1638771-49-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1638771-49-9
Multi CAS
No
Molecular Formula
C12H19NO4
Molecular Weight
241.280000
Exact Mass
241.131408
SMILES
CC(C)(C)OC(=O)NCC12CC(C1)(C2)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-10(2,3)17-9(16)13-7-11-4-12(5-11,6-11)8(14)15/h4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
WVTIQANOLLCYCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.59
TPSA
75.63

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1
Consensus LogP
1.44
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94

Drug-likeness / Medicinal Chemistry

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

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