CAS RN: 514188-72-8
2-Bromo-5-decylthiophene
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock2 grade groups
- Product code: SSC-158256
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
514188-72-8 / 2-bromo-5-decylthiophene
Basic Information
CAS
514188-72-8
Multi CAS
No
Molecular Formula
C14H23BRS
Molecular Weight
303.300000
Exact Mass
302.070380
InChI
InChI=1S/C14H23BrS/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(15)16-13/h11-12H,2-10H2,1H3
InChIKey
BLGUNQPKOOEOHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.71
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
78.33
TPSA
28.2000
LogP / Solubility
WLOGP
6.19
MLOGP
5.46
XLogP3
7.6
Consensus LogP
6.42
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.85
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.17
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
