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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
15275-65-7 / methyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate
Basic Information
CAS
15275-65-7
Multi CAS
No
Molecular Formula
C14H26N2O5
Molecular Weight
302.370000
Exact Mass
302.184172
SMILES
CC(C)C(C(=O)NC(C)C(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H26N2O5/c1-8(2)10(16-13(19)21-14(4,5)6)11(17)15-9(3)12(18)20-7/h8-10H,1-7H3,(H,15,17)(H,16,19)
InChIKey
GNOSSFVOMTYCFF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.79
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
77.62
TPSA
93.73
LogP / Solubility
WLOGP
1.21
MLOGP
1.08
XLogP3
1.2
Consensus LogP
1.16
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
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)
-3.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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