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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shanghai | Inquiry |
1792171-85-7 / 1-bromo-3-chloro-9H-carbazole
Basic Information
CAS
1792171-85-7
Multi CAS
No
Molecular Formula
C12H7BrClN
Molecular Weight
280.550000
Exact Mass
278.945040
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=CC(=C3)Cl)Br
InChI
InChI=1S/C12H7BrClN/c13-10-6-7(14)5-9-8-3-1-2-4-11(8)15-12(9)10/h1-6,15H
InChIKey
OYNMHANIWGBQHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
13
H-bond donors
1
Molar refractivity
68.51
TPSA
15.79
LogP / Solubility
WLOGP
4.74
MLOGP
4.18
XLogP3
4.7
Consensus LogP
4.54
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
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)
-1.07
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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