CAS RN: 376616-73-8
ZQ-16
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS376616-73-8
- Purity/Analytical Methods: >99.0%
376616-73-8 / 2-hexylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
Basic Information
CAS
376616-73-8
Multi CAS
Yes
Molecular Formula
C10H16N2O2S
Molecular Weight
228.310000
Exact Mass
228.093249
InChI
InChI=1S/C10H16N2O2S/c1-2-3-4-5-6-15-10-11-8(13)7-9(14)12-10/h7H,2-6H2,1H3,(H2,11,12,13,14)
InChIKey
UYXOAKRMLQKLQX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.39
TPSA
65.98
LogP / Solubility
WLOGP
2.15
MLOGP
1.89
XLogP3
2.4
Consensus LogP
2.15
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.65
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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