CAS RN: 88215-41-2
Dichloro(2-pyridinecarboxylato)gold
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3 package records1 with current stock1 grade group
- Product code: starshine_CAS88215-41-2
- Purity/Analytical Methods: >99.0%
88215-41-2 / dichlorogold(1-);pyridine-2-carboxylic acid
Basic Information
CAS
88215-41-2
Multi CAS
Yes
Molecular Formula
C6H5AUCL2NO2
Molecular Weight
390.980000
Exact Mass
389.936304
InChI
InChI=1S/C6H5NO2.Au.2ClH/c8-6(9)5-3-1-2-4-7-5;;;/h1-4H,(H,8,9);;2*1H/q;+1;;/p-2
InChIKey
ZRBOYOOITIMPKQ-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.9
TPSA
50.19
LogP / Solubility
WLOGP
2.16
MLOGP
1.92
XLogP3
2.16
Consensus LogP
2.08
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.11
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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