[email protected]
CAS 779332-92-2 1,2-bis(2,5-dimethyl-3-thienyl)acetylene molecular structure lightbox
CAS RN: 779332-92-2

1,2-bis(2,5-dimethyl-3-thienyl)acetylene

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260525 100mg / 250mg / 1g Out of stock 30 business days Inquiry
  • Product code: SSC-187495
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: 1g
  • 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 779332-92-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

779332-92-2 / 3-[2-(2,5-dimethylthiophen-3-yl)ethynyl]-2,5-dimethylthiophene

Standard CAS: 779332-92-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
779332-92-2
Multi CAS
No
Molecular Formula
C14H14S2
Molecular Weight
246.400000
Exact Mass
246.053693
InChI
InChI=1S/C14H14S2/c1-9-7-13(11(3)15-9)5-6-14-8-10(2)16-12(14)4/h7-8H,1-4H3
InChIKey
JTUZSCRRMCYVMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
73.57
TPSA
56.5000

LogP / Solubility

WLOGP
4.44
MLOGP
3.92
XLogP3
4.9
Consensus LogP
4.42
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.07

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

Customers Also Viewed

Get In Touch

Contact Us