CAS RN: 15170-74-8
bis(DL-methioninato-N,O)copper
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS15170-74-8
- Purity/Analytical Methods: >99.0%
15170-74-8 / copper bis((1-carboxy-3-methylsulfanylpropyl)azanide)
Basic Information
CAS
15170-74-8
Multi CAS
No
Molecular Formula
C10H20CuN2O4S2
Molecular Weight
360.000000
Exact Mass
359.016047
SMILES
CSCCC(C(=O)O)[NH-].CSCCC(C(=O)O)[NH-].[Cu+2]
InChI
InChI=1S/2C5H10NO2S.Cu/c2*1-9-3-2-4(6)5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q2*-1;+2
InChIKey
OGKRAMHEYIKPDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.8
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
77.49
TPSA
122.2
LogP / Solubility
WLOGP
2.49
MLOGP
2.21
XLogP3
2.49
Consensus LogP
2.4
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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- CAS RN: 15182-06-6
- Product Code: starshine_CAS15182-06-6
- Purity/Analytical method: >99.0%
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