Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: 0
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | 0 | 0 Out of Stock | Hong Kong | Inquiry |
59303-07-0 / 2-(furan-2-ylmethylsulfanylmethyl)pyrazine
Basic Information
CAS
59303-07-0
Multi CAS
Yes
Molecular Formula
C10H10N2OS
Molecular Weight
206.270000
Exact Mass
206.051384
InChI
InChI=1S/C10H10N2OS/c1-2-10(13-5-1)8-14-7-9-6-11-3-4-12-9/h1-6H,7-8H2
InChIKey
RVAGIRWUMWXFKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
55.74
TPSA
38.92
LogP / Solubility
WLOGP
2.5
MLOGP
2.2
XLogP3
0.9
Consensus LogP
1.87
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 54300-08-2
- Product Code: SSC-161934
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