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CAS 148148-48-5 BENZYL 4-(N-METHOXY-N-METHYLCARBAMOYL)PIPERIDINE-1-CARBOXYLATE molecular structure lightbox
CAS RN: 148148-48-5

BENZYL 4-(N-METHOXY-N-METHYLCARBAMOYL)PIPERIDINE-1-CARBOXYLATE

  • Product code: SSC-058556
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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 148148-48-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 4 In Stock Hong Kong Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry

148148-48-5 / benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate

Standard CAS: 148148-48-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
148148-48-5
Multi CAS
No
Molecular Formula
C16H22N2O4
Molecular Weight
306.360000
Exact Mass
306.157957
SMILES
CN(C(=O)C1CCN(CC1)C(=O)OCC2=CC=CC=C2)OC
InChI
InChI=1S/C16H22N2O4/c1-17(21-2)15(19)14-8-10-18(11-9-14)16(20)22-12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKey
XVSOLNIURSFPEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
80.7
TPSA
59.08

LogP / Solubility

WLOGP
2.05
MLOGP
1.82
XLogP3
1.6
Consensus LogP
1.82
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly 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)
-3.13

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
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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