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CAS 252578-18-0 (5′-Methyl-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-4-yl)-carbaMic acid tert-butyl ester, 98+% C16H25N3O2, MW: 291.39 molecular structure lightbox
CAS RN: 252578-18-0

(5′-Methyl-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-4-yl)-carbaMic acid tert-butyl ester, 98+% C16H25N3O2, MW: 291.39

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250417 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS252578-18-0
  • Purity/Analytical Methods: >99.0%
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252578-18-0 / tert-butyl N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamate

Standard CAS: 252578-18-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252578-18-0
Multi CAS
No
Molecular Formula
C16H25N3O2
Molecular Weight
291.390000
Exact Mass
291.194677
SMILES
CC1=CN=C(C=C1)N2CCC(CC2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C16H25N3O2/c1-12-5-6-14(17-11-12)19-9-7-13(8-10-19)18-15(20)21-16(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,18,20)
InChIKey
BARLQQBTKYICKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
83.58
TPSA
54.46

LogP / Solubility

WLOGP
2.88
MLOGP
2.55
XLogP3
2.9
Consensus LogP
2.78
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly 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)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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