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CAS 1226776-80-2 Benzyl N-Boc-4-isopropyl-4-piperidinecarboxylate molecular structure lightbox
CAS RN: 1226776-80-2

Benzyl N-Boc-4-isopropyl-4-piperidinecarboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250421 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-025775
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1226776-80-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry

1226776-80-2 / 4-O-benzyl 1-O-tert-butyl 4-propan-2-ylpiperidine-1,4-dicarboxylate

Standard CAS: 1226776-80-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1226776-80-2
Multi CAS
No
Molecular Formula
C21H31NO4
Molecular Weight
361.500000
Exact Mass
361.225308
SMILES
CC(C)C1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C21H31NO4/c1-16(2)21(18(23)25-15-17-9-7-6-8-10-17)11-13-22(14-12-21)19(24)26-20(3,4)5/h6-10,16H,11-15H2,1-5H3
InChIKey
QWNDJDHFFBXOSV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
100.55
TPSA
55.84

LogP / Solubility

WLOGP
4.4
MLOGP
3.89
XLogP3
4.1
Consensus LogP
4.13
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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