CAS RN: 1346133-11-6
(S)-3-fluoro-4-(4-((2-(3-fluorophenyl)pyrrolidin-1-yl)methyl)phenoxy)benzamide
Product Availability
Choose a grade to view its available package options.
8 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250405 | 25mg / 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260315 | 100mg | Out of stock | Inquiry | ||
| Batchno.20251109 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250531 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20251121 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250619 | 25mg | Out of stock | Inquiry | ||
| Batchno.20260502 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250617 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1346133-11-6
- Purity/Analytical Methods: >99.0%
1346133-11-6 / 3-fluoro-4-[4-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
Basic Information
CAS
1346133-11-6
Multi CAS
No
Molecular Formula
C24H22F2N2O2
Molecular Weight
408.400000
Exact Mass
408.164934
SMILES
C1C[C@H](N(C1)CC2=CC=C(C=C2)OC3=C(C=C(C=C3)C(=O)N)F)C4=CC(=CC=C4)F
InChI
InChI=1S/C24H22F2N2O2/c25-19-4-1-3-17(13-19)22-5-2-12-28(22)15-16-6-9-20(10-7-16)30-23-11-8-18(24(27)29)14-21(23)26/h1,3-4,6-11,13-14,22H,2,5,12,15H2,(H2,27,29)/t22-/m0/s1
InChIKey
WHHMECUDUQRPJT-QFIPXVFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
110.22
TPSA
55.56
LogP / Solubility
WLOGP
5.19
MLOGP
4.59
XLogP3
4.4
Consensus LogP
4.73
Log S (ESOL)
-5.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.35
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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