[email protected]
CAS 1064015-56-0 Thieno[3,2-b]thiophene, 3-octyl- molecular structure lightbox
CAS RN: 1064015-56-0

Thieno[3,2-b]thiophene, 3-octyl-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250215 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1064015-56-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1064015-56-0 / 6-octylthieno[3,2-b]thiophene

3-Octylthieno[3,2-b]thiophene | 6-octylthieno[3,2-b]thiophene | SCHEMBL25229247

Standard CAS: 1064015-56-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1064015-56-0
Multi CAS
No
Molecular Formula
C14H20S2
Molecular Weight
252.400000
Exact Mass
252.100643
SMILES
CCCCCCCCC1=CSC2=C1SC=C2
InChI
InChI=1S/C14H20S2/c1-2-3-4-5-6-7-8-12-11-16-13-9-10-15-14(12)13/h9-11H,2-8H2,1H3
InChIKey
ZMHJPXMMAUKSOS-UHFFFAOYSA-N
Synonyms
3-Octylthieno[3,2-b]thiophene 6-octylthieno[3,2-b]thiophene SCHEMBL25229247 C14H20S2 CS-0120846

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
8
Fraction Csp3
0.57
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
76.78
TPSA
56.5000

LogP / Solubility

WLOGP
5.87
MLOGP
5.17
XLogP3
6.8
Consensus LogP
5.95
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.01
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us