![CAS 182486-32-4 Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, methyl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/182486-32-4.gif)
CAS RN: 182486-32-4
Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, methyl
- Product code: SSC-084494
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 | Hong Kong | Inquiry |
182486-32-4 / methyl (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Basic Information
CAS
182486-32-4
Multi CAS
No
Molecular Formula
C10H19NO4
Molecular Weight
217.260000
Exact Mass
217.131408
SMILES
C[C@H](CNC(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C10H19NO4/c1-7(8(12)14-5)6-11-9(13)15-10(2,3)4/h7H,6H2,1-5H3,(H,11,13)/t7-/m1/s1
InChIKey
JZHNQALXNGWKCG-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.42
TPSA
64.63
LogP / Solubility
WLOGP
1.32
MLOGP
1.16
XLogP3
1.3
Consensus LogP
1.26
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately 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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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