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CAS RN: 1377576-72-1
2-Bromo-5H-Benzofuro[3,2-c]carbazole Quantity
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250517 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1377576-72-1
- Purity/Analytical Methods: >99.0%
1377576-72-1 / 2-bromo-5H-[1]benzofuro[3,2-c]carbazole
Basic Information
CAS
1377576-72-1
Multi CAS
No
Molecular Formula
C18H10BrNO
Molecular Weight
336.200000
Exact Mass
334.994580
SMILES
C1=CC=C2C(=C1)C3=C(O2)C4=C(C=C3)NC5=C4C=C(C=C5)Br
InChI
InChI=1S/C18H10BrNO/c19-10-5-7-14-13(9-10)17-15(20-14)8-6-12-11-3-1-2-4-16(11)21-18(12)17/h1-9,20H
InChIKey
PNCRMWDBWKXNCY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
20
H-bond acceptors
1
H-bond donors
1
Molar refractivity
90.78
TPSA
28.93
LogP / Solubility
WLOGP
5.98
MLOGP
5.28
XLogP3
5.8
Consensus LogP
5.69
Log S (ESOL)
-6.4
Class (ESOL)
Insoluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.81
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
No
Log Kp (skin permeation)
-0.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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