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CAS 960316-16-9 tert-butyl (3s,4s)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 960316-16-9

tert-butyl (3s,4s)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251203 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-211858
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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 960316-16-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

960316-16-9 / tert-butyl (3S,4S)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate

Standard CAS: 960316-16-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
960316-16-9
Multi CAS
Yes
Molecular Formula
C11H22N2O3
Molecular Weight
230.300000
Exact Mass
230.163043
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-8(12-4)9(7-13)15-5/h8-9,12H,6-7H2,1-5H3/t8-,9-/m0/s1
InChIKey
AAKFNMYHCBQIQV-IUCAKERBSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.45
TPSA
50.8

LogP / Solubility

WLOGP
0.84
MLOGP
0.74
XLogP3
0.4
Consensus LogP
0.66
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
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)
-3.53

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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