CAS RN: 207390-14-5
3-Bromocytisine
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.20250505 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS207390-14-5
- Purity/Analytical Methods: >99.0%
207390-14-5 / (1R,9S)-5-bromo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Basic Information
CAS
207390-14-5
Multi CAS
No
Molecular Formula
C11H13BrN2O
Molecular Weight
269.140000
Exact Mass
268.021130
SMILES
C1[C@H]2CNC[C@@H]1C3=CC=C(C(=O)N3C2)Br
InChI
InChI=1S/C11H13BrN2O/c12-9-1-2-10-8-3-7(4-13-5-8)6-14(10)11(9)15/h1-2,7-8,13H,3-6H2/t7-,8+/m0/s1
InChIKey
DWDCLEHDNICBMI-JGVFFNPUSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.55
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.12
TPSA
34.03
LogP / Solubility
WLOGP
1.32
MLOGP
1.17
XLogP3
1.1
Consensus LogP
1.2
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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