CAS RN: 74807-44-6
Glycyl-D-threonine Dihydrate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260620 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTG0141
- Purity/Analytical Methods: >95.0%(T)
74807-44-6 / (2R,3S)-2-[(2-aminoacetyl)amino]-3-hydroxybutanoic acid;dihydrate
Basic Information
CAS
74807-44-6
Multi CAS
No
Molecular Formula
C6H16N2O6
Molecular Weight
212.200000
Exact Mass
212.100836
SMILES
C[C@@H]([C@H](C(=O)O)NC(=O)CN)O.O.O
InChI
InChI=1S/C6H12N2O4.2H2O/c1-3(9)5(6(11)12)8-4(10)2-7;;/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12);2*1H2/t3-,5+;;/m0../s1
InChIKey
BFDXCPYYJSKNOU-BZNGOSNWSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
47.53
TPSA
175.65
LogP / Solubility
WLOGP
-3.75
MLOGP
-3.3
XLogP3
-3.75
Consensus LogP
-3.6
Log S (ESOL)
1.47
Class (ESOL)
Highly soluble
Log S (Ali)
1.41
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.6
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)
-6.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
