CAS RN: 301199-32-6
5-bromo-2-n-pentylthiophene
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.20260429 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS301199-32-6
- Purity/Analytical Methods: >99.0%
301199-32-6 / 2-bromo-5-pentylthiophene
Basic Information
CAS
301199-32-6
Multi CAS
No
Molecular Formula
C9H13BRS
Molecular Weight
233.170000
Exact Mass
231.992130
InChI
InChI=1S/C9H13BrS/c1-2-3-4-5-8-6-7-9(10)11-8/h6-7H,2-5H2,1H3
InChIKey
SOZIBLSTUIVYKC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
55.25
TPSA
28.2000
LogP / Solubility
WLOGP
4.24
MLOGP
3.74
XLogP3
4.9
Consensus LogP
4.29
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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