CAS RN: 1370554-01-0
Cilliobrevin D
Product Availability
Choose a grade to view its available package options.
7 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260417 | 100mg | Out of stock | Inquiry | |
| Batchno.20260517 | 10mg | Out of stock | Inquiry | |
| Batchno.20260411 | 1mg | Out of stock | Inquiry | |
| Batchno.20250114 | 250mg | Out of stock | Inquiry | |
| Batchno.20260417 | 25mg | Out of stock | Inquiry | |
| Batchno.20251222 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260524 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1370554-01-0
- Purity/Analytical Methods: >99.0%
1370554-01-0 / 2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile
Basic Information
CAS
1370554-01-0
Multi CAS
No
Molecular Formula
C17H8Cl3N3O2
Molecular Weight
392.600000
Exact Mass
390.968210
SMILES
C1=CC2=C(C=C1Cl)N=C(NC2=O)C(=C(C3=C(C=C(C=C3)Cl)Cl)O)C#N
InChI
InChI=1S/C17H8Cl3N3O2/c18-8-1-3-10(13(20)5-8)15(24)12(7-21)16-22-14-6-9(19)2-4-11(14)17(25)23-16/h1-6,24H,(H,22,23,25)
InChIKey
HVJSIEVASHGLBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
98.89
TPSA
89.77
LogP / Solubility
WLOGP
4.83
MLOGP
4.28
XLogP3
4
Consensus LogP
4.37
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.46
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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