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CAS 917925-62-3 tert-Butyl 4-aMino-4-(4-broMophenyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 917925-62-3

tert-Butyl 4-aMino-4-(4-broMophenyl)piperidine-1-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260315 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS917925-62-3
  • Purity/Analytical Methods: >99.0%
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917925-62-3 / tert-butyl 4-amino-4-(4-bromophenyl)piperidine-1-carboxylate

Standard CAS: 917925-62-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
917925-62-3
Multi CAS
No
Molecular Formula
BC16H23O2Rn2
Molecular Weight
355.270000
Exact Mass
354.094290
InChI
InChI=1S/C16H23BrN2O2/c1-15(2,3)21-14(20)19-10-8-16(18,9-11-19)12-4-6-13(17)7-5-12/h4-7H,8-11,18H2,1-3H3
InChIKey
TYRPHFVVJIVRRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.05
TPSA
55.56

LogP / Solubility

WLOGP
3.63
MLOGP
3.22
XLogP3
2.7
Consensus LogP
3.18
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
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
Yes
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

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

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