CAS RN: 84255-26-5
4-methyl-2-undecyl-1H-imidazole-5-carboxylic acid
- Product code: SSC-191810
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 |
84255-26-5 / 5-methyl-2-undecyl-1H-imidazole-4-carboxylic acid
Basic Information
CAS
84255-26-5
Multi CAS
No
Molecular Formula
C16H28N2O2
Molecular Weight
280.410000
Exact Mass
280.215078
InChI
InChI=1S/C16H28N2O2/c1-3-4-5-6-7-8-9-10-11-12-14-17-13(2)15(18-14)16(19)20/h3-12H2,1-2H3,(H,17,18)(H,19,20)
InChIKey
NHZIYMXVHIPXJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
11
H-bond acceptors
2
H-bond donors
2
Molar refractivity
81.22
TPSA
65.98
LogP / Solubility
WLOGP
4.49
MLOGP
3.96
XLogP3
5.8
Consensus LogP
4.75
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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