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CAS 1626343-40-5 tert-butyl (3R,5S)-5-methylpyrrolidin-3-ylcarbamate molecular structure lightbox
CAS RN: 1626343-40-5

tert-butyl (3R,5S)-5-methylpyrrolidin-3-ylcarbamate

  • Product code: SSC-070049
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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 1626343-40-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1626343-40-5 / tert-butyl N-[(3R,5S)-5-methylpyrrolidin-3-yl]carbamate

Standard CAS: 1626343-40-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1626343-40-5
Multi CAS
No
Molecular Formula
C10H20N2O2
Molecular Weight
200.280000
Exact Mass
200.152478
SMILES
C[C@H]1C[C@H](CN1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H20N2O2/c1-7-5-8(6-11-7)12-9(13)14-10(2,3)4/h7-8,11H,5-6H2,1-4H3,(H,12,13)/t7-,8+/m0/s1
InChIKey
HBFRNKXGNAOUDC-JGVFFNPUSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.24
TPSA
50.36

LogP / Solubility

WLOGP
1.26
MLOGP
1.11
XLogP3
1.1
Consensus LogP
1.16
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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