CAS RN: 9007-73-2
Ferritin from Horse Spleen (100mg/1mL)
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
- Product code: ICTF0004
9007-73-2 / hexadecane-1-sulfinate
Basic Information
CAS
9007-73-2
Multi CAS
Yes
Molecular Formula
C16H33O2S
Molecular Weight
289.500000
Exact Mass
289.220126
InChI
InChI=1S/C16H34O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(17)18/h2-16H2,1H3,(H,17,18)/p-1
InChIKey
HBTBNXFVJYRYGI-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
15
H-bond acceptors
2
Molar refractivity
84.1
TPSA
40.13
LogP / Solubility
WLOGP
5.35
MLOGP
4.72
XLogP3
6.6
Consensus LogP
5.56
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.78
Class (SILICOS-IT)
Insoluble
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)
-0.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
