CAS RN: 1999-33-3
Nα-Glycyl-L-asparagine
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-094112
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 |
1999-33-3 / (2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoic acid
Basic Information
CAS
1999-33-3
Multi CAS
No
Molecular Formula
C6H11N3O4
Molecular Weight
189.170000
Exact Mass
189.074956
SMILES
C([C@@H](C(=O)O)NC(=O)CN)C(=O)N
InChI
InChI=1S/C6H11N3O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)(H,12,13)/t3-/m0/s1
InChIKey
FUESBOMYALLFNI-VKHMYHEASA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
42.43
TPSA
135.51
LogP / Solubility
WLOGP
-2.61
MLOGP
-2.3
XLogP3
-4.9
Consensus LogP
-3.27
Log S (ESOL)
0.96
Class (ESOL)
Highly soluble
Log S (Ali)
0.77
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.68
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)
-5.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
