[email protected]
CAS 217-19-6 naphtho[1,2-b:5,6-b’]dithiophene molecular structure lightbox
CAS RN: 217-19-6

naphtho[1,2-b:5,6-b’]dithiophene

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260423 100mg In stock Shanghai Inquiry
Batchno.20250428 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20260627 1g Out of stock Inquiry
Batchno.20250125 250mg In stock Shanghai Inquiry
Batchno.20250828 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS217-19-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

217-19-6 / [1]benzothiolo[7,6-g][1]benzothiole

Standard CAS: 217-19-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
217-19-6
Multi CAS
No
Molecular Formula
C14H8S2
Molecular Weight
240.300000
Exact Mass
240.006743
SMILES
C1=CC2=C(C=CC3=C2SC=C3)C4=C1C=CS4
InChI
InChI=1S/C14H8S2/c1-3-11-12(13-9(1)5-7-15-13)4-2-10-6-8-16-14(10)11/h1-8H
InChIKey
MOZTVOICZIVCFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
16
H-bond acceptors
2
Molar refractivity
74.71
TPSA
56.5000

LogP / Solubility

WLOGP
5.27
MLOGP
4.64
XLogP3
5.2
Consensus LogP
5.04
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
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)
-0.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us