CAS RN: 1144505-59-8
Methyl 3-(Boc-amino)tetrahydrofuran-3-carboxylate
- Product code: SSC-014233
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1144505-59-8 / methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylate
Methyl 3-(Boc-amino)tetrahydrofuran-3-carboxylate | MFCD22418446 | Methyl 3-{[(tert-butoxy)carbonyl]amino}oxolane-3-carboxylate
Basic Information
CAS
1144505-59-8
Multi CAS
No
Molecular Formula
C11H19NO5
Molecular Weight
245.270000
Exact Mass
245.126323
SMILES
CC(C)(C)OC(=O)NC1(CCOC1)C(=O)OC
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(14)12-11(8(13)15-4)5-6-16-7-11/h5-7H2,1-4H3,(H,12,14)
InChIKey
DEXQNYKFGJHHSD-UHFFFAOYSA-N
Synonyms
Methyl 3-(Boc-amino)tetrahydrofuran-3-carboxylate
MFCD22418446
Methyl 3-{[(tert-butoxy)carbonyl]amino}oxolane-3-carboxylate
Methyl 3-((tert-butoxycarbonyl)amino)tetrahydrofuran-3-carboxylate
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
59.55
TPSA
73.86
LogP / Solubility
WLOGP
0.84
MLOGP
0.75
XLogP3
0.7
Consensus LogP
0.76
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-3.62
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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