[email protected]
CAS 139100-06-4 2-Bromo-3-dodecylthiophene molecular structure lightbox
CAS RN: 139100-06-4

2-Bromo-3-dodecylthiophene

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251214 1g In stock Shanghai, Shandong Inquiry
Batchno.20250730 25g Out of stock 5-7 business days Inquiry
Batchno.20250419 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260216 10g In stock Shanghai Inquiry
Batchno.20260101 1g In stock Shanghai Inquiry
Batchno.20250312 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250109 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-049217
GET A QUOTE
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: 10g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 139100-06-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

139100-06-4 / 2-bromo-3-dodecylthiophene

Standard CAS: 139100-06-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
139100-06-4
Multi CAS
No
Molecular Formula
C16H27BrS
Molecular Weight
331.400000
Exact Mass
330.101680
SMILES
CCCCCCCCCCCCC1=C(SC=C1)Br
InChI
InChI=1S/C16H27BrS/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-18-16(15)17/h13-14H,2-12H2,1H3
InChIKey
IMILVTHOOISGRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
11
H-bond acceptors
1
Molar refractivity
87.57
TPSA
28.2000

LogP / Solubility

WLOGP
6.97
MLOGP
6.15
XLogP3
8.8
Consensus LogP
7.31
Log S (ESOL)
-5.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.92
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)
0.21

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
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

Customers Also Viewed

Get In Touch

Contact Us