CAS RN: 1345847-71-3
Methyl 1-((4-fluorophenyl)carbamoyl)cyclopropanecarboxylate
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.20260524 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM897526
1345847-71-3 / methyl 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate
Basic Information
CAS
1345847-71-3
Multi CAS
No
Molecular Formula
C12H12FNO3
Molecular Weight
237.230000
Exact Mass
237.080121
SMILES
COC(=O)C1(CC1)C(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C12H12FNO3/c1-17-11(16)12(6-7-12)10(15)14-9-4-2-8(13)3-5-9/h2-5H,6-7H2,1H3,(H,14,15)
InChIKey
BQEDPQDMNWOYLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.71
TPSA
55.4
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
2.1
Consensus LogP
1.78
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.95
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
1.5
