![CAS 1132814-98-2 tert-butyl N-[3-(hydroxymethyl)oxolan-3-yl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1132814-98-2.gif)
CAS RN: 1132814-98-2
tert-butyl N-[3-(hydroxymethyl)oxolan-3-yl]carbamate
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.20260628 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-013433
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 | Hong Kong | Inquiry |
1132814-98-2 / tert-butyl N-[3-(hydroxymethyl)oxolan-3-yl]carbamate
tert-butyl N-[3-(hydroxymethyl)oxolan-3-yl]carbamate | 3-(Boc-amino)tetrahydrofuran-3-methanol | tert-Butyl (3-(hydroxymethyl)tetrahydrofuran-3-yl)carbamate
Basic Information
CAS
1132814-98-2
Multi CAS
Yes
Molecular Formula
C10H19NO4
Molecular Weight
217.260000
Exact Mass
217.131408
SMILES
CC(C)(C)OC(=O)NC1(CCOC1)CO
InChI
InChI=1S/C10H19NO4/c1-9(2,3)15-8(13)11-10(6-12)4-5-14-7-10/h12H,4-7H2,1-3H3,(H,11,13)
InChIKey
FIEQSYXWJPFLFS-UHFFFAOYSA-N
Synonyms
tert-butyl N-[3-(hydroxymethyl)oxolan-3-yl]carbamate
3-(Boc-amino)tetrahydrofuran-3-methanol
tert-Butyl (3-(hydroxymethyl)tetrahydrofuran-3-yl)carbamate
MFCD23106437
SCHEMBL1185660
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.62
TPSA
67.79
LogP / Solubility
WLOGP
0.66
MLOGP
0.59
XLogP3
0.1
Consensus LogP
0.45
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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