![CAS 71460-02-1 (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-pentynoic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/71460-02-1.gif)
CAS RN: 71460-02-1
(2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-pentynoic acid methyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260527 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-181044
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
71460-02-1 / methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate
Basic Information
CAS
71460-02-1
Multi CAS
Yes
Molecular Formula
C11H17NO4
Molecular Weight
227.260000
Exact Mass
227.115758
InChI
InChI=1S/C11H17NO4/c1-6-7-8(9(13)15-5)12-10(14)16-11(2,3)4/h1,8H,7H2,2-5H3,(H,12,14)
InChIKey
QPMUXIIQQHTMKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.62
TPSA
64.63
LogP / Solubility
WLOGP
1.08
MLOGP
0.95
XLogP3
1.5
Consensus LogP
1.18
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-3.34
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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