CAS RN: 932749-62-7
CAS:932749-62-7
Product Availability
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8 package records3 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250701 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS932749-62-7
- Purity/Analytical Methods: >99.0%
932749-62-7 / (2E,6E)-2,6-bis[(3-bromo-4-hydroxyphenyl)methylidene]cyclohexan-1-one
Basic Information
CAS
932749-62-7
Multi CAS
Yes
Molecular Formula
C20H16BR2O3
Molecular Weight
464.100000
Exact Mass
463.944570
InChI
InChI=1S/C20H16Br2O3/c21-16-10-12(4-6-18(16)23)8-14-2-1-3-15(20(14)25)9-13-5-7-19(24)17(22)11-13/h4-11,23-24H,1-3H2/b14-8+,15-9+
InChIKey
YOLKEKNTCBWPSD-VOMDNODZSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
106.43
TPSA
57.53
LogP / Solubility
WLOGP
5.84
MLOGP
5.17
XLogP3
5.7
Consensus LogP
5.57
Log S (ESOL)
-6.62
Class (ESOL)
Insoluble
Log S (Ali)
-7.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.77
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 933035-31-5 3,8-DIBROMO-6-CHLOROIMIDAZO[1,2-B]PYRIDAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/933035-31-5.gif)
