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 |
84255-22-1 / 2-undecyl-1H-imidazole-5-carboxylic acid
Basic Information
CAS
84255-22-1
Multi CAS
No
Molecular Formula
C15H26N2O2
Molecular Weight
266.380000
Exact Mass
266.199428
InChI
InChI=1S/C15H26N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-16-12-13(17-14)15(18)19/h12H,2-11H2,1H3,(H,16,17)(H,18,19)
InChIKey
DIDXGZDIJOYLCZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
11
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.48
TPSA
65.98
LogP / Solubility
WLOGP
4.18
MLOGP
3.69
XLogP3
5.4
Consensus LogP
4.42
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
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)
-1.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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