![CAS 497861-77-5 Carbamic acid, [(1R)-1-methyl-3-oxopropyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/497861-77-5.gif)
CAS RN: 497861-77-5
Carbamic acid, [(1R)-1-methyl-3-oxopropyl]-, 1,1-dimethylethyl ester (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251123 | 10mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-156071
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
497861-77-5 / tert-butyl N-(4-oxobutan-2-yl)carbamate
Basic Information
CAS
497861-77-5
Multi CAS
Yes
Molecular Formula
C9H17NO3
Molecular Weight
187.240000
Exact Mass
187.120843
InChI
InChI=1S/C9H17NO3/c1-7(5-6-11)10-8(12)13-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,12)
InChIKey
GIQHYOAEOMSKKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.51
TPSA
55.4
LogP / Solubility
WLOGP
1.49
MLOGP
1.31
XLogP3
0.8
Consensus LogP
1.2
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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