CAS RN: 1260879-22-8
Methyl 7-fluoro-2-oxoindoline-5-carboxylate
- Product code: SSC-032301
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 | Shenzhen | Inquiry |
1260879-22-8 / methyl 7-fluoro-2-oxo-1,3-dihydroindole-5-carboxylate
Basic Information
CAS
1260879-22-8
Multi CAS
No
Molecular Formula
C10H8FNO3
Molecular Weight
209.170000
Exact Mass
209.048821
SMILES
COC(=O)C1=CC2=C(C(=C1)F)NC(=O)C2
InChI
InChI=1S/C10H8FNO3/c1-15-10(14)6-2-5-4-8(13)12-9(5)7(11)3-6/h2-3H,4H2,1H3,(H,12,13)
InChIKey
JMPJBXYGMGJTPJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.07
TPSA
55.4
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
0.7
Consensus LogP
0.93
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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