CAS RN: 1565868-91-8
2-bromo-9,9-Dimethyl-9H-xanthene
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.20260120 | 5g / 10g / 50g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-065644
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1565868-91-8 / 2-bromo-9,9-dimethylxanthene
Basic Information
CAS
1565868-91-8
Multi CAS
No
Molecular Formula
C15H13BrO
Molecular Weight
289.170000
Exact Mass
288.014980
SMILES
CC1(C2=CC=CC=C2OC3=C1C=C(C=C3)Br)C
InChI
InChI=1S/C15H13BrO/c1-15(2)11-5-3-4-6-13(11)17-14-8-7-10(16)9-12(14)15/h3-9H,1-2H3
InChIKey
QCPNMPAEAGVMFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
H-bond acceptors
1
Molar refractivity
72.79
TPSA
9.23
LogP / Solubility
WLOGP
4.88
MLOGP
4.31
XLogP3
5
Consensus LogP
4.73
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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