![CAS 129241-89-0 N,N-bis[(1,1-dimethylethoxy)carbonyl]-5-oxo-, 1,1-dimethylethyl ester(WXG02486) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/129241-89-0.gif)
CAS RN: 129241-89-0
N,N-bis[(1,1-dimethylethoxy)carbonyl]-5-oxo-, 1,1-dimethylethyl ester(WXG02486)
- Product code: SSC-036353
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 | Shenzhen | Inquiry |
129241-89-0 / tert-butyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoate
Basic Information
CAS
129241-89-0
Multi CAS
No
Molecular Formula
C19H33NO7
Molecular Weight
387.500000
Exact Mass
387.225702
SMILES
CC(C)(C)OC(=O)[C@H](CCC=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H33NO7/c1-17(2,3)25-14(22)13(11-10-12-21)20(15(23)26-18(4,5)6)16(24)27-19(7,8)9/h12-13H,10-11H2,1-9H3/t13-/m0/s1
InChIKey
HJWISYMIYDQEQY-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.79
Rotatable bonds
5
H-bond acceptors
7
Molar refractivity
99.24
TPSA
99.21
LogP / Solubility
WLOGP
3.85
MLOGP
3.41
XLogP3
3
Consensus LogP
3.42
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-2.35
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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![CAS 129265-61-8 [1,1′-Biphenyl]-2-carboxaldehyde, 4′-[9-(2′-formyl[1,1′-biphenyl]-4-yl)-1,10-phenanthrolin-2-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/129265-61-8.gif)
