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CAS 1186688-44-7 benzyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate molecular structure lightbox
CAS RN: 1186688-44-7

benzyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate

  • Product code: SSC-018599
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 1186688-44-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

1186688-44-7 / benzyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate

benzyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate | MFCD29917063 | 1-Cbz-4,4-dimethoxypiperidin-3-ol

Standard CAS: 1186688-44-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1186688-44-7
Multi CAS
No
Molecular Formula
C15H21NO5
Molecular Weight
295.330000
Exact Mass
295.141973
SMILES
COC1(CCN(CC1O)C(=O)OCC2=CC=CC=C2)OC
InChI
InChI=1S/C15H21NO5/c1-19-15(20-2)8-9-16(10-13(15)17)14(18)21-11-12-6-4-3-5-7-12/h3-7,13,17H,8-11H2,1-2H3
InChIKey
YSTGJBDNTNVBIP-UHFFFAOYSA-N
Synonyms
benzyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate MFCD29917063 1-Cbz-4,4-dimethoxypiperidin-3-ol SCHEMBL961769 YSTGJBDNTNVBIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
75.57
TPSA
68.23

LogP / Solubility

WLOGP
1.38
MLOGP
1.22
XLogP3
0.8
Consensus LogP
1.13
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly 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)
-3.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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