![CAS 840540-58-1 Methyl 5-[(tert-butoxycarbonylamino)methyl]tetrahydrofuran-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/840540-58-1.gif)
CAS RN: 840540-58-1
Methyl 5-[(tert-butoxycarbonylamino)methyl]tetrahydrofuran-2-carboxylate
- Product code: SSC-191675
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: 0.5g
- 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 |
|---|---|---|---|---|
| 0.5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
840540-58-1 / methyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylate
Basic Information
CAS
840540-58-1
Multi CAS
No
Molecular Formula
C12H21NO5
Molecular Weight
259.300000
Exact Mass
259.141973
InChI
InChI=1S/C12H21NO5/c1-12(2,3)18-11(15)13-7-8-5-6-9(17-8)10(14)16-4/h8-9H,5-7H2,1-4H3,(H,13,15)
InChIKey
KOYDSWZQFFQEEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.15
TPSA
73.86
LogP / Solubility
WLOGP
1.23
MLOGP
1.09
XLogP3
1.3
Consensus LogP
1.21
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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