![CAS 852693-74-4 3-Butenoic acid, 2-[[(1,1-diMethylethoxy)carbonyl]aMino]-, Methyl ester, (2S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/852693-74-4.gif)
CAS RN: 852693-74-4
3-Butenoic acid, 2-[[(1,1-diMethylethoxy)carbonyl]aMino]-, Methyl ester, (2S)-
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.20250315 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-193592
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
852693-74-4 / methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoate
Basic Information
CAS
852693-74-4
Multi CAS
No
Molecular Formula
C10H17NO4
Molecular Weight
215.250000
Exact Mass
215.115758
InChI
InChI=1S/C10H17NO4/c1-6-7(8(12)14-5)11-9(13)15-10(2,3)4/h6-7H,1H2,2-5H3,(H,11,13)/t7-/m0/s1
InChIKey
OCLGYEARXGFDHM-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.37
TPSA
64.63
LogP / Solubility
WLOGP
1.24
MLOGP
1.09
XLogP3
1.7
Consensus LogP
1.34
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-3.15
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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