CAS RN: 121602-03-7
3,6-Dibromo-9-butyl-9H-carbazole
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.20250320 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS121602-03-7
- Purity/Analytical Methods: >99.0%
121602-03-7 / 3,6-dibromo-9-butylcarbazole
Basic Information
CAS
121602-03-7
Multi CAS
No
Molecular Formula
C16H15Br2N
Molecular Weight
381.100000
Exact Mass
380.955080
SMILES
CCCCN1C2=C(C=C(C=C2)Br)C3=C1C=CC(=C3)Br
InChI
InChI=1S/C16H15Br2N/c1-2-3-8-19-15-6-4-11(17)9-13(15)14-10-12(18)5-7-16(14)19/h4-7,9-10H,2-3,8H2,1H3
InChIKey
YTQDAHGLEKIAOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
13
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
89.75
TPSA
4.93
LogP / Solubility
WLOGP
6.12
MLOGP
5.41
XLogP3
5.9
Consensus LogP
5.81
Log S (ESOL)
-6.37
Class (ESOL)
Insoluble
Log S (Ali)
-7.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.58
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)
-0.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
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