CAS RN: 97602-72-7
1H-Imidazole-4-carboxylicacid,2-methyl-,methylester(9CI)
- Product code: SSC-212331
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
97602-72-7 / methyl 2-methyl-1H-imidazole-5-carboxylate
Basic Information
CAS
97602-72-7
Multi CAS
No
Molecular Formula
C6H8N2O2
Molecular Weight
140.140000
Exact Mass
140.058578
InChI
InChI=1S/C6H8N2O2/c1-4-7-3-5(8-4)6(9)10-2/h3H,1-2H3,(H,7,8)
InChIKey
WPPRAPIAKXDXIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.66
TPSA
54.98
LogP / Solubility
WLOGP
0.5
MLOGP
0.44
XLogP3
0.6
Consensus LogP
0.51
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
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)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
Isoscoparin-2”-β-D-glucopyranoside
- CAS RN: 97605-25-9
- Product Code: starshine_CAS97605-25-9
- Purity/Analytical method: >99.0%
-
-
-
-
