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: 500g
- 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 |
|---|---|---|---|---|
| 500g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
69833-18-7 / 2,4-diamino-4-oxobutanoic acid;hydrate
Basic Information
CAS
69833-18-7
Multi CAS
Yes
Molecular Formula
C4H10N2O4
Molecular Weight
150.130000
Exact Mass
150.064057
InChI
InChI=1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2
InChIKey
RBMGJIZCEWRQES-UHFFFAOYSA-N
Physical Properties
Physical Description
Pellets or Large Crystals
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
33.04
TPSA
137.91
LogP / Solubility
WLOGP
-2.55
MLOGP
-2.25
XLogP3
-2.55
Consensus LogP
-2.45
Log S (ESOL)
1.03
Class (ESOL)
Highly soluble
Log S (Ali)
1.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.12
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-5.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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Butanoic acid, 2-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester
- CAS RN: 69844-32-2
- Product Code: starshine_CAS69844-32-2
- Purity/Analytical method: >99.0%
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