CAS RN: 705282-16-2
9H-Xanthene, 2,7-dibromo-9,9-dimethyl-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251231 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS705282-16-2
- Purity/Analytical Methods: >99.0%
705282-16-2 / 2,7-dibromo-9,9-dimethylxanthene
Basic Information
CAS
705282-16-2
Multi CAS
No
Molecular Formula
C15H12BR2O
Molecular Weight
368.060000
Exact Mass
367.923440
InChI
InChI=1S/C15H12Br2O/c1-15(2)11-7-9(16)3-5-13(11)18-14-6-4-10(17)8-12(14)15/h3-8H,1-2H3
InChIKey
NVHOWSXDIDUIDZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.2
H-bond acceptors
1
Molar refractivity
80.49
TPSA
9.23
LogP / Solubility
WLOGP
5.64
MLOGP
4.99
XLogP3
5.7
Consensus LogP
5.44
Log S (ESOL)
-6.17
Class (ESOL)
Insoluble
Log S (Ali)
-6.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.74
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)
-0.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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