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CAS 138871-56-4 (2S)-2-[[[(1,1-DIMETHYLETHYL)DIPHENYLSILYL]OXY]METHYL]-5-OXO-1-PYRROLIDINECARBOXYLATE-1,1-DIMETHYLETHYL ESTER molecular structure lightbox
CAS RN: 138871-56-4

(2S)-2-[[[(1,1-DIMETHYLETHYL)DIPHENYLSILYL]OXY]METHYL]-5-OXO-1-PYRROLIDINECARBOXYLATE-1,1-DIMETHYLETHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250503 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-049004
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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, 5g
  • 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 138871-56-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

138871-56-4 / tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate

Standard CAS: 138871-56-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138871-56-4
Multi CAS
No
Molecular Formula
C26H35NO4Si
Molecular Weight
453.600000
Exact Mass
453.233535
SMILES
CC(C)(C)OC(=O)N1[C@@H](CCC1=O)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI
InChI=1S/C26H35NO4Si/c1-25(2,3)31-24(29)27-20(17-18-23(27)28)19-30-32(26(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,17-19H2,1-6H3/t20-/m0/s1
InChIKey
FAYODBRURYKPFY-FQEVSTJZSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
129.68
TPSA
55.84

LogP / Solubility

WLOGP
4.49
MLOGP
3.98
XLogP3
4.49
Consensus LogP
4.32
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.93
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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