CAS RN: 169210-37-1
6-broMo-2-phenylindolizine
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.20260109 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS169210-37-1
- Purity/Analytical Methods: >99.0%
169210-37-1 / 6-bromo-2-phenylindolizine
Basic Information
CAS
169210-37-1
Multi CAS
No
Molecular Formula
C14H10BrN
Molecular Weight
272.140000
Exact Mass
270.999660
SMILES
C1=CC=C(C=C1)C2=CN3C=C(C=CC3=C2)Br
InChI
InChI=1S/C14H10BrN/c15-13-6-7-14-8-12(9-16(14)10-13)11-4-2-1-3-5-11/h1-10H
InChIKey
ZEXRAGNSMRNYHV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
70.53
TPSA
4.41
LogP / Solubility
WLOGP
4.37
MLOGP
3.85
XLogP3
5
Consensus LogP
4.41
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
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)
-1.28
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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