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 | Shanghai | Inquiry |
85185-24-6 / 3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid
Basic Information
CAS
85185-24-6
Multi CAS
Yes
Molecular Formula
C10H17NO6
Molecular Weight
247.240000
Exact Mass
247.105587
InChI
InChI=1S/C10H17NO6/c1-10(2,3)17-9(16)11-6(4-7(12)13)5-8(14)15/h6H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)
InChIKey
WGYXEDFGBWPHCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.7
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
57.66
TPSA
112.93
LogP / Solubility
WLOGP
0.83
MLOGP
0.74
Consensus LogP
0.52
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately soluble
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)
-3.64
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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