CAS RN: 64452-96-6
Chromium nicotinate
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS64452-96-6
- Purity/Analytical Methods: >99.0%
64452-96-6 / chromium;pyridine-3-carboxylic acid
Basic Information
CAS
64452-96-6
Multi CAS
Yes
Molecular Formula
C7H5O2Rn
Molecular Weight
175.110000
Exact Mass
174.972533
InChI
InChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-2-1-3-7-4-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3
InChIKey
MSPQQAUTCRWLGR-UHFFFAOYSA-K
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31.2
TPSA
50.19
LogP / Solubility
WLOGP
0.78
MLOGP
0.68
XLogP3
0.78
Consensus LogP
0.75
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
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)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 64461-95-6 [(1aS)-1a,1bα,2,5aα,6,6aβ-Hexahydro-6α-[(E)-3-(4-hydroxy-3-methoxyphenyl)propenoyloxy]-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]β-D-glucopyranoside molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/64461-95-6.gif)
