CAS RN: 608-12-8
Buthiopurin
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.20260412 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS608-12-8
- Purity/Analytical Methods: >99.0%
608-12-8 / 5-(7H-purin-6-ylsulfanyl)pentanoic acid
Basic Information
CAS
608-12-8
Multi CAS
Yes
Molecular Formula
C10H12N4O2S
Molecular Weight
252.300000
Exact Mass
252.068097
InChI
InChI=1S/C10H12N4O2S/c15-7(16)3-1-2-4-17-10-8-9(12-5-11-8)13-6-14-10/h5-6H,1-4H2,(H,15,16)(H,11,12,13,14)
InChIKey
FWYNOXVCJSRVQV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
63.89
TPSA
91.76
LogP / Solubility
WLOGP
1.7
MLOGP
1.5
XLogP3
0.9
Consensus LogP
1.37
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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1,2,3,4,5-Pentabromobenzene
- CAS RN: 608-90-2
- Product Code: starshine_CAS608-90-2
- Purity/Analytical method: >99.0%
