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CAS 115655-43-1 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-Piperidinedicarboxylic acid 4-methyl 1-(phenylmethyl)ester molecular structure lightbox
CAS RN: 115655-43-1

4-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-Piperidinedicarboxylic acid 4-methyl 1-(phenylmethyl)ester

  • Product code: SSC-015426
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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: 10g, 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 115655-43-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Beijing Inquiry

115655-43-1 / 1-O-benzyl 4-O-methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1,4-dicarboxylate

1-Benzyl 4-methyl 4-((tert-butoxycarbonyl)amino)piperidine-1,4-dicarboxylate | MFCD17170962 | 1,4-PIPERIDINEDICARBOXYLIC ACID, 4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-, 4-METHYL 1-(PHENYLMETHYL) ESTER

Standard CAS: 115655-43-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
115655-43-1
Multi CAS
No
Molecular Formula
C20H28N2O6
Molecular Weight
392.400000
Exact Mass
392.194737
SMILES
CC(C)(C)OC(=O)NC1(CCN(CC1)C(=O)OCC2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C20H28N2O6/c1-19(2,3)28-17(24)21-20(16(23)26-4)10-12-22(13-11-20)18(25)27-14-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3,(H,21,24)
InChIKey
GVRQIMSOAHTWPB-UHFFFAOYSA-N
Synonyms
1-Benzyl 4-methyl 4-((tert-butoxycarbonyl)amino)piperidine-1,4-dicarboxylate MFCD17170962 1,4-PIPERIDINEDICARBOXYLIC ACID, 4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-, 4-METHYL 1-(PHENYLMETHYL) ESTER 1,4-Piperidinedicarboxylic acid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 4-methyl 1-(phenylmethyl)ester 1-O-benzyl 4-O-methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1,4-dicarboxylate

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
101.55
TPSA
94.17

LogP / Solubility

WLOGP
2.86
MLOGP
2.54
XLogP3
2.6
Consensus LogP
2.67
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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