CAS RN: 391210-00-7
PD318088
Product Availability
Choose a grade to view its available package options.
8 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250621 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250216 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250913 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250115 | 1mg / 5mg / 25mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251227 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260612 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251103 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260303 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS391210-00-7
- Purity/Analytical Methods: >99.0%
391210-00-7 / 5-bromo-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
Basic Information
CAS
391210-00-7
Multi CAS
Yes
Molecular Formula
BC16H13In2O4Rf3
Molecular Weight
561.090000
Exact Mass
559.905550
InChI
InChI=1S/C16H13BrF3IN2O4/c17-10-4-9(16(26)23-27-6-8(25)5-24)15(14(20)13(10)19)22-12-2-1-7(21)3-11(12)18/h1-4,8,22,24-25H,5-6H2,(H,23,26)
InChIKey
XXSSGBYXSKOLAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
4
Molar refractivity
102.97
TPSA
90.82
LogP / Solubility
WLOGP
3.23
MLOGP
2.89
XLogP3
3.7
Consensus LogP
3.27
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.83
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.85
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
3
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