CAS RN: 128372-97-4
Methyl 6-(Boc-amino)hexanoate
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.20260403 | 0.5g / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM926503
128372-97-4 / methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
Basic Information
CAS
128372-97-4
Multi CAS
No
Molecular Formula
C12H23NO4
Molecular Weight
245.320000
Exact Mass
245.162708
SMILES
CC(C)(C)OC(=O)NCCCCCC(=O)OC
InChI
InChI=1S/C12H23NO4/c1-12(2,3)17-11(15)13-9-7-5-6-8-10(14)16-4/h5-9H2,1-4H3,(H,13,15)
InChIKey
GJAKZXZWJMIYTC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.72
TPSA
64.63
LogP / Solubility
WLOGP
2.24
MLOGP
1.98
XLogP3
1.8
Consensus LogP
2.01
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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