CAS RN: 655249-04-0
5-BroMo-5′-hexyl-2,2′-bithiophene
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.20250420 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS655249-04-0
- Purity/Analytical Methods: >99.0%
655249-04-0 / 2-bromo-5-(5-hexylthiophen-2-yl)thiophene
Basic Information
CAS
655249-04-0
Multi CAS
No
Molecular Formula
C14H17BRS2
Molecular Weight
329.300000
Exact Mass
327.995510
InChI
InChI=1S/C14H17BrS2/c1-2-3-4-5-6-11-7-8-12(16-11)13-9-10-14(15)17-13/h7-10H,2-6H2,1H3
InChIKey
QNMUCNVCVAUOQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
83.18
TPSA
56.5000
LogP / Solubility
WLOGP
6.36
MLOGP
5.61
XLogP3
6.8
Consensus LogP
6.26
Log S (ESOL)
-5.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.8
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)
-0.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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