CAS RN: 475561-89-8
1H-Pyrrole-2-carboxylicacid,4-fluoro-,methylester(9CI)
- Product code: SSC-154532
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, 10g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 7
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥97% | 3 In Stock | Shanghai | Inquiry |
| 100g | ≥97% | 2 In Stock | Shanghai | Inquiry |
475561-89-8 / methyl 4-fluoro-1H-pyrrole-2-carboxylate
Basic Information
CAS
475561-89-8
Multi CAS
No
Molecular Formula
C6FH6NO2
Molecular Weight
143.120000
Exact Mass
143.038257
InChI
InChI=1S/C6H6FNO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3
InChIKey
DQCVQMRMLSMVDL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.09
TPSA
42.09
LogP / Solubility
WLOGP
0.94
MLOGP
0.82
XLogP3
1
Consensus LogP
0.92
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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