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CAS 168263-82-9 (2S,4S)-4-BOC-AMINO PYRROLIDINE-2-CARBOXYLIC ACID METHYLESTER-HCL molecular structure lightbox
CAS RN: 168263-82-9

(2S,4S)-4-BOC-AMINO PYRROLIDINE-2-CARBOXYLIC ACID METHYLESTER-HCL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260124 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-073344
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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: ＞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 168263-82-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

168263-82-9 / methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylate

Standard CAS: 168263-82-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
168263-82-9
Multi CAS
No
Molecular Formula
C11H20N2O4
Molecular Weight
244.290000
Exact Mass
244.142307
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@H](NC1)C(=O)OC
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-7-5-8(12-6-7)9(14)16-4/h7-8,12H,5-6H2,1-4H3,(H,13,15)/t7-,8-/m0/s1
InChIKey
QOJVDTYOYUAFQA-YUMQZZPRSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
61.58
TPSA
76.66

LogP / Solubility

WLOGP
0.41
MLOGP
0.37
XLogP3
0.7
Consensus LogP
0.49
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
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)
-3.92

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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