CAS RN: 59514-18-0
6-BROMO-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
- Product code: SSC-167977
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 | Shanghai | Inquiry |
59514-18-0 / 6-bromo-2,3,4,9-tetrahydrocarbazol-1-one
Basic Information
CAS
59514-18-0
Multi CAS
Yes
Molecular Formula
BC12H10ORn
Molecular Weight
264.120000
Exact Mass
262.994580
InChI
InChI=1S/C12H10BrNO/c13-7-4-5-10-9(6-7)8-2-1-3-11(15)12(8)14-10/h4-6,14H,1-3H2
InChIKey
UZMYPCOHBHVFJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.27
TPSA
32.86
LogP / Solubility
WLOGP
3.45
MLOGP
3.04
XLogP3
3.2
Consensus LogP
3.23
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
