CAS RN: 1313054-48-6
Boc-D-beta-hoMoglutaMine
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.20250603 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1313054-48-6
- Purity/Analytical Methods: >99.0%
1313054-48-6 / (3R)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
Basic Information
CAS
1313054-48-6
Multi CAS
No
Molecular Formula
C11H20N2O5
Molecular Weight
260.290000
Exact Mass
260.137222
SMILES
CC(C)(C)OC(=O)N[C@H](CCC(=O)N)CC(=O)O
InChI
InChI=1S/C11H20N2O5/c1-11(2,3)18-10(17)13-7(6-9(15)16)4-5-8(12)14/h7H,4-6H2,1-3H3,(H2,12,14)(H,13,17)(H,15,16)/t7-/m1/s1
InChIKey
DAUHTFNYHSOVRQ-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.73
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
63.84
TPSA
118.72
LogP / Solubility
WLOGP
0.62
MLOGP
0.55
XLogP3
-0.3
Consensus LogP
0.29
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-3.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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