CAS RN: 29639-68-7
4,6-Dihydroxy-2-methythiopyrimidine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250212 | 10g / 25g / 100g / 500g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS29639-68-7
- Purity/Analytical Methods: >99.0%
29639-68-7 / 4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
Basic Information
CAS
29639-68-7
Multi CAS
Yes
Molecular Formula
C5H6N2O2S
Molecular Weight
158.180000
Exact Mass
158.014999
InChI
InChI=1S/C5H6N2O2S/c1-10-5-6-3(8)2-4(9)7-5/h2H,1H3,(H2,6,7,8,9)
InChIKey
AEXCUJUYEZIWJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.3
TPSA
65.98
LogP / Solubility
WLOGP
0.2
MLOGP
0.17
XLogP3
0.1
Consensus LogP
0.16
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very 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)
-3.54
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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