CAS RN: 151004-11-4
Hydrazinecarboxylic acid, 2-(2-methoxy-1-methyl-2-oxoethyl)-, 1,1-
- Product code: SSC-060887
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 | Shanghai | Inquiry |
151004-11-4 / methyl (2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]propanoate
Basic Information
CAS
151004-11-4
Multi CAS
No
Molecular Formula
C9H18N2O4
Molecular Weight
218.250000
Exact Mass
218.126657
SMILES
C[C@@H](C(=O)OC)NNC(=O)OC(C)(C)C
InChI
InChI=1S/C9H18N2O4/c1-6(7(12)14-5)10-11-8(13)15-9(2,3)4/h6,10H,1-5H3,(H,11,13)/t6-/m0/s1
InChIKey
NRZCDZXAVTXLQE-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
53.98
TPSA
76.66
LogP / Solubility
WLOGP
0.58
MLOGP
0.51
XLogP3
1
Consensus LogP
0.7
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
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)
-3.64
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
2
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