CAS RN: 1250543-88-4
1-(2-Fluorophenyl)-1H-imidazole-4-carboxylic acid
- Product code: SSC-029537
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 | Beijing | Inquiry |
1250543-88-4 / 1-(2-fluorophenyl)imidazole-4-carboxylic acid
Basic Information
CAS
1250543-88-4
Multi CAS
No
Molecular Formula
C10H7FN2O2
Molecular Weight
206.170000
Exact Mass
206.049156
SMILES
C1=CC=C(C(=C1)N2C=C(N=C2)C(=O)O)F
InChI
InChI=1S/C10H7FN2O2/c11-7-3-1-2-4-9(7)13-5-8(10(14)15)12-6-13/h1-6H,(H,14,15)
InChIKey
PTRVJWBNHWVNEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.48
TPSA
55.12
LogP / Solubility
WLOGP
1.71
MLOGP
1.51
XLogP3
1.6
Consensus LogP
1.61
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76
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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