CAS RN: 474542-82-0
2-(4,5-DICHLORO-1H-IMIDAZOL-1-YL)ACETIC ACID
- Product code: SSC-154381
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: ≥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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
474542-82-0 / 2-(4,5-dichloroimidazol-1-yl)acetic acid
Basic Information
CAS
474542-82-0
Multi CAS
No
Molecular Formula
C5H4CL2N2O2
Molecular Weight
195.000000
Exact Mass
193.964983
InChI
InChI=1S/C5H4Cl2N2O2/c6-4-5(7)9(2-8-4)1-3(10)11/h2H,1H2,(H,10,11)
InChIKey
LAKBJWRGGUVXKN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.88
TPSA
55.12
LogP / Solubility
WLOGP
1.27
MLOGP
1.12
XLogP3
1.6
Consensus LogP
1.33
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately 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
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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