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CAS 175133-83-2 (S)-BENZYL 2-(3-((TERT-BUTOXYCARBONYL)AMINO)-2-OXOPIPERIDIN-1-YL)ACETATE molecular structure lightbox
CAS RN: 175133-83-2

(S)-BENZYL 2-(3-((TERT-BUTOXYCARBONYL)AMINO)-2-OXOPIPERIDIN-1-YL)ACETATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250628 1g / 5g / 10g Confirm by inquiry Shanghai 3-5 business days Inquiry
  • Product code: starshine_CAS175133-83-2
  • Purity/Analytical Methods: >99.0%
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175133-83-2 / benzyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-1-yl]acetate

Standard CAS: 175133-83-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175133-83-2
Multi CAS
No
Molecular Formula
C19H26N2O5
Molecular Weight
362.400000
Exact Mass
362.184172
SMILES
CC(C)(C)OC(=O)N[C@H]1CCCN(C1=O)CC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C19H26N2O5/c1-19(2,3)26-18(24)20-15-10-7-11-21(17(15)23)12-16(22)25-13-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,20,24)/t15-/m0/s1
InChIKey
VSLNFKGGDYHYLX-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
95.21
TPSA
84.94

LogP / Solubility

WLOGP
2.25
MLOGP
2
XLogP3
2.4
Consensus LogP
2.22
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-3.34

Drug-likeness / Medicinal Chemistry

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

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