CAS RN: 1150617-60-9
Methyl 4-fluorotetrahydro-2H-pyran-4-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250702 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1150617-60-9
- Purity/Analytical Methods: >99.0%
1150617-60-9 / methyl 4-fluorooxane-4-carboxylate
methyl 4-fluorooxane-4-carboxylate | DTXSID10654013 | RefChem:816425
Basic Information
CAS
1150617-60-9
Multi CAS
Yes
Molecular Formula
C7H11FO3
Molecular Weight
162.160000
Exact Mass
162.069222
SMILES
COC(=O)C1(CCOCC1)F
InChI
InChI=1S/C7H11FO3/c1-10-6(9)7(8)2-4-11-5-3-7/h2-5H2,1H3
InChIKey
MMRSDRAYRVDTJH-UHFFFAOYSA-N
Synonyms
methyl 4-fluorooxane-4-carboxylate
DTXSID10654013
RefChem:816425
DTXCID40604763
Methyl 4-fluorotetrahydro-2H-pyran-4-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
35.91
TPSA
35.53
LogP / Solubility
WLOGP
0.68
MLOGP
0.59
XLogP3
0.7
Consensus LogP
0.66
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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