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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
5879-06-1 / 4-amino-5-[(1-carboxy-2-methylpropyl)amino]-5-oxopentanoic acid
Basic Information
CAS
5879-06-1
Multi CAS
Yes
Molecular Formula
C10H18N2O5
Molecular Weight
246.260000
Exact Mass
246.121572
InChI
InChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-9(15)6(11)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKey
SITLTJHOQZFJGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.7
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
4
Molar refractivity
59.25
TPSA
129.72
LogP / Solubility
WLOGP
-0.6
MLOGP
-0.52
XLogP3
-3.9
Consensus LogP
-1.67
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
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)
-4.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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- CAS RN: 5874-73-7
- Product Code: starshine_CAS5874-73-7
- Purity/Analytical method: >99.0%
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