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CAS 1032903-63-1 tert-butyl 4-(4-aMino-5-isopropoxy-2-Methylphenyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1032903-63-1

tert-butyl 4-(4-aMino-5-isopropoxy-2-Methylphenyl)piperidine-1-carboxylate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260211 1g In stock Shanghai Inquiry
Batchno.20250110 250mg In stock Shanghai Inquiry
Batchno.20251126 5g In stock Shanghai Inquiry
  • Product code: SSC-004743
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1032903-63-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1032903-63-1 / tert-butyl 4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)piperidine-1-carboxylate

1,1-Dimethylethyl 4-[4-amino-2-methyl-5-(1-methylethoxy)phenyl]-1-piperidinecarboxylate | 1,1-Dimethylethyl 4-(4-amino-2-methyl-5-(1-methylethoxy)phenyl)-1-piperidinecarboxylate | RefChem:213911

Standard CAS: 1032903-63-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1032903-63-1
Multi CAS
No
Molecular Formula
C20H32N2O3
Molecular Weight
348.500000
Exact Mass
348.241293
SMILES
CC1=CC(=C(C=C1C2CCN(CC2)C(=O)OC(C)(C)C)OC(C)C)N
InChI
InChI=1S/C20H32N2O3/c1-13(2)24-18-12-16(14(3)11-17(18)21)15-7-9-22(10-8-15)19(23)25-20(4,5)6/h11-13,15H,7-10,21H2,1-6H3
InChIKey
MNUPHINLCXJKEZ-UHFFFAOYSA-N
Synonyms
1,1-Dimethylethyl 4-[4-amino-2-methyl-5-(1-methylethoxy)phenyl]-1-piperidinecarboxylate 1,1-Dimethylethyl 4-(4-amino-2-methyl-5-(1-methylethoxy)phenyl)-1-piperidinecarboxylate RefChem:213911 TERT-BUTYL 4-(4-AMINO-5-ISOPROPOXY-2-METHYLPHENYL)PIPERIDINE-1-CARBOXYLATE MFCD26407295

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
101.14
TPSA
64.79

LogP / Solubility

WLOGP
4.48
MLOGP
3.96
XLogP3
3.8
Consensus LogP
4.08
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67

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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