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CAS 150710-72-8 calyxamine B molecular structure lightbox
CAS RN: 150710-72-8

calyxamine B

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251124 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS150710-72-8
  • Purity/Analytical Methods: >99.0%
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150710-72-8 / 1-(2,2,6,6-tetramethylpiperidin-4-ylidene)propan-2-one

Standard CAS: 150710-72-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
150710-72-8
Multi CAS
No
Molecular Formula
C12H21NO
Molecular Weight
195.300000
Exact Mass
195.162314
SMILES
CC(=O)C=C1CC(NC(C1)(C)C)(C)C
InChI
InChI=1S/C12H21NO/c1-9(14)6-10-7-11(2,3)13-12(4,5)8-10/h6,13H,7-8H2,1-5H3
InChIKey
IIIRMHBNGRZGTN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.29
TPSA
29.1

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
1.1
Consensus LogP
1.9
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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