CAS RN: 2435-46-3
Pyrazinecarboxylic acid, 3,6-dimethyl- (7CI,9CI)
- Product code: SSC-118626
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: 1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2435-46-3 / 3,6-dimethylpyrazine-2-carboxylic acid
Basic Information
CAS
2435-46-3
Multi CAS
No
Molecular Formula
C7H8N2O2
Molecular Weight
152.150000
Exact Mass
152.058578
SMILES
CC1=CN=C(C(=N1)C(=O)O)C
InChI
InChI=1S/C7H8N2O2/c1-4-3-8-5(2)6(9-4)7(10)11/h3H,1-2H3,(H,10,11)
InChIKey
BKKOBNUFBYAVQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.47
TPSA
63.08
LogP / Solubility
WLOGP
0.79
MLOGP
0.69
XLogP3
0.4
Consensus LogP
0.63
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
Class (SILICOS-IT)
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)
-3.09
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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- CAS RN: 24358-65-4
- Product Code: starshine_CAS24358-65-4
- Purity/Analytical method: >99.0%
