[email protected]
CAS 139985-95-8 Benzyl 1-Boc-piperidine-3-carboxylate molecular structure lightbox
CAS RN: 139985-95-8

Benzyl 1-Boc-piperidine-3-carboxylate

  • Product code: SSC-050443
GET A QUOTE
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: 5g, 1g, 10g, 0.1g, 0.25g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 139985-95-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 4 In Stock Shenzhen Inquiry
10g ≥95% 3 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

139985-95-8 / 3-O-benzyl 1-O-tert-butyl piperidine-1,3-dicarboxylate

Standard CAS: 139985-95-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
139985-95-8
Multi CAS
No
Molecular Formula
C18H25NO4
Molecular Weight
319.400000
Exact Mass
319.178358
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C18H25NO4/c1-18(2,3)23-17(21)19-11-7-10-15(12-19)16(20)22-13-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3
InChIKey
PCDSVOCCBYCHPQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
86.77
TPSA
55.84

LogP / Solubility

WLOGP
3.38
MLOGP
2.99
XLogP3
3
Consensus LogP
3.12
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us