CAS RN: 931417-26-4
ANI-7
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250316 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS931417-26-4
- Purity/Analytical Methods: >99.0%
931417-26-4 / (Z)-2-(3,4-dichlorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile
Basic Information
CAS
931417-26-4
Multi CAS
Yes
Molecular Formula
C13H8CL2N2
Molecular Weight
263.120000
Exact Mass
262.006454
InChI
InChI=1S/C13H8Cl2N2/c14-12-4-3-9(7-13(12)15)10(8-16)6-11-2-1-5-17-11/h1-7,17H/b10-6+
InChIKey
IJJHHDLGGYDXGD-UXBLZVDNSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
70.74
TPSA
39.58
LogP / Solubility
WLOGP
4.39
MLOGP
3.87
XLogP3
3.8
Consensus LogP
4.02
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.21
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
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