CAS RN: 143979-15-1
Boc-L-2-allylglycine dicyclohexylamine salt
- Product code: SSC-055215
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: 5g
- Available purity: >98%
- 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 |
|---|---|---|---|---|
| 5g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
143979-15-1 / N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
Basic Information
CAS
143979-15-1
Multi CAS
No
Molecular Formula
C22H40N2O4
Molecular Weight
396.600000
Exact Mass
396.298808
SMILES
CC(C)(C)OC(=O)N[C@@H](CC=C)C(=O)O.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C12H23N.C10H17NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h11-13H,1-10H2;5,7H,1,6H2,2-4H3,(H,11,14)(H,12,13)/t;7-/m.0/s1
InChIKey
VMCGMPITVQIMGK-ZLTKDMPESA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.82
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
112.49
TPSA
87.66
LogP / Solubility
WLOGP
4.78
MLOGP
4.23
XLogP3
4.78
Consensus LogP
4.6
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.93
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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