CAS RN: 2165435-43-6
D-β-HoLys(Boc)-OH
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.20251128 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2165435-43-6
- Purity/Analytical Methods: >99.0%
2165435-43-6 / (3R)-3-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
Basic Information
CAS
2165435-43-6
Multi CAS
No
Molecular Formula
C12H24N2O4
Molecular Weight
260.330000
Exact Mass
260.173607
SMILES
CC(C)(C)OC(=O)NCCCC[C@H](CC(=O)O)N
InChI
InChI=1S/C12H24N2O4/c1-12(2,3)18-11(17)14-7-5-4-6-9(13)8-10(15)16/h9H,4-8,13H2,1-3H3,(H,14,17)(H,15,16)/t9-/m1/s1
InChIKey
CROHJZFRKSKYNH-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
68.32
TPSA
101.65
LogP / Solubility
WLOGP
1.48
MLOGP
1.31
XLogP3
-1.7
Consensus LogP
0.36
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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