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CAS 1178882-02-4 Ethyl 1-Boc-3-ethylpiperidine-3-carboxylate molecular structure lightbox
CAS RN: 1178882-02-4

Ethyl 1-Boc-3-ethylpiperidine-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250123 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-017715
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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: >95%
  • Inventory rows with stock: 2
  • 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 1178882-02-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry

1178882-02-4 / 1-O-tert-butyl 3-O-ethyl 3-ethylpiperidine-1,3-dicarboxylate

Ethyl 1-Boc-3-ethylpiperidine-3-carboxylate | 1-tert-Butyl 3-ethyl 3-ethylpiperidine-1,3-dicarboxylate | MFCD21641311

Standard CAS: 1178882-02-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1178882-02-4
Multi CAS
No
Molecular Formula
C15H27NO4
Molecular Weight
285.380000
Exact Mass
285.194008
SMILES
CCC1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)OCC
InChI
InChI=1S/C15H27NO4/c1-6-15(12(17)19-7-2)9-8-10-16(11-15)13(18)20-14(3,4)5/h6-11H2,1-5H3
InChIKey
XAOCBPFTPYDATH-UHFFFAOYSA-N
Synonyms
Ethyl 1-Boc-3-ethylpiperidine-3-carboxylate 1-tert-Butyl 3-ethyl 3-ethylpiperidine-1,3-dicarboxylate MFCD21641311 1-O-tert-butyl 3-O-ethyl 3-ethylpiperidine-1,3-dicarboxylate Ethyl1-Boc-3-ethylpiperidine-3-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.87
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
76.4
TPSA
55.84

LogP / Solubility

WLOGP
2.98
MLOGP
2.63
XLogP3
2.5
Consensus LogP
2.7
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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