CAS RN: 827343-08-8
2-Bromo-3-hexadecylthiophene
Product Availability
Choose a grade to view its available package options.
7 package records4 with current stock2 grade groups
- Product code: SSC-190795
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 | Hong Kong | Inquiry |
827343-08-8 / 2-bromo-3-hexadecylthiophene
Basic Information
CAS
827343-08-8
Multi CAS
No
Molecular Formula
C20H35BRS
Molecular Weight
387.500000
Exact Mass
386.164280
InChI
InChI=1S/C20H35BrS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18-22-20(19)21/h17-18H,2-16H2,1H3
InChIKey
GOHORSZVGYZIGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.8
Rotatable bonds
15
H-bond acceptors
1
Molar refractivity
106.04
TPSA
28.2000
LogP / Solubility
WLOGP
8.53
MLOGP
7.53
XLogP3
11
Consensus LogP
9.02
Log S (ESOL)
-6.8
Class (ESOL)
Insoluble
Log S (Ali)
-8.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.06
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
Yes
Log Kp (skin permeation)
0.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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