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CAS 1630815-50-7 tert-butyl (2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 1630815-50-7

tert-butyl (2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250723 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-070712
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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: 1g
  • 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 1630815-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1630815-50-7 / tert-butyl (2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylate

Standard CAS: 1630815-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1630815-50-7
Multi CAS
No
Molecular Formula
C12H24N2O2
Molecular Weight
228.330000
Exact Mass
228.183778
SMILES
CC[C@]1(CCCN1C(=O)OC(C)(C)C)CN
InChI
InChI=1S/C12H24N2O2/c1-5-12(9-13)7-6-8-14(12)10(15)16-11(2,3)4/h5-9,13H2,1-4H3/t12-/m0/s1
InChIKey
ZYKIXJFPSFUIRP-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.25
TPSA
55.56

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
1.4
Consensus LogP
1.8
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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