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CAS 142373-57-7 (S)-tert-butyl 4-(4-(4-(2-amino-3-methoxy-3-oxopropyl)phenoxy)butyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 142373-57-7

(S)-tert-butyl 4-(4-(4-(2-amino-3-methoxy-3-oxopropyl)phenoxy)butyl)piperidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250110 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-053248
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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 142373-57-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

142373-57-7 / tert-butyl 4-[4-[4-[(2S)-2-amino-3-methoxy-3-oxopropyl]phenoxy]butyl]piperidine-1-carboxylate

Standard CAS: 142373-57-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142373-57-7
Multi CAS
No
Molecular Formula
C24H38N2O5
Molecular Weight
434.600000
Exact Mass
434.278072
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CCCCOC2=CC=C(C=C2)C[C@@H](C(=O)OC)N
InChI
InChI=1S/C24H38N2O5/c1-24(2,3)31-23(28)26-14-12-18(13-15-26)7-5-6-16-30-20-10-8-19(9-11-20)17-21(25)22(27)29-4/h8-11,18,21H,5-7,12-17,25H2,1-4H3/t21-/m0/s1
InChIKey
PQYGBOTVMKEBBB-NRFANRHFSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
1
Molar refractivity
120.01
TPSA
91.09

LogP / Solubility

WLOGP
3.93
MLOGP
3.48
XLogP3
4.1
Consensus LogP
3.84
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.82
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.58

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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