[email protected]
CAS 1209012-32-7 4,9-dihydro-4,4,9,9-tetraoctyl-s-indaceno[1,2-b:5,6-b’]dithiophene molecular structure lightbox
CAS RN: 1209012-32-7

4,9-dihydro-4,4,9,9-tetraoctyl-s-indaceno[1,2-b:5,6-b’]dithiophene

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250626 1g Out of stock 15 business days Inquiry
  • Product code: SSC-022223
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: ≥95%
  • 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 1209012-32-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1209012-32-7 / 9,9,18,18-tetraoctyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene

4,4,9,9-tetraoctyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene | IDT8 | SCHEMBL2416793

Standard CAS: 1209012-32-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1209012-32-7
Multi CAS
No
Molecular Formula
C48H74S2
Molecular Weight
715.200000
Exact Mass
714.523195
SMILES
CCCCCCCCC1(C2=C(C3=CC4=C(C=C31)C5=C(C4(CCCCCCCC)CCCCCCCC)C=CS5)SC=C2)CCCCCCCC
InChI
InChI=1S/C48H74S2/c1-5-9-13-17-21-25-31-47(32-26-22-18-14-10-6-2)41-29-35-49-45(41)39-38-44-40(37-43(39)47)46-42(30-36-50-46)48(44,33-27-23-19-15-11-7-3)34-28-24-20-16-12-8-4/h29-30,35-38H,5-28,31-34H2,1-4H3
InChIKey
HPDXZMSBVNAHIB-UHFFFAOYSA-N
Synonyms
4,4,9,9-tetraoctyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene IDT8 SCHEMBL2416793 HPDXZMSBVNAHIB-UHFFFAOYSA-N H83654

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
16
Fraction Csp3
0.71
Rotatable bonds
28
H-bond acceptors
2
Molar refractivity
226.6
TPSA
56.5000

LogP / Solubility

WLOGP
17.34
MLOGP
15.33
XLogP3
21.5
Consensus LogP
18.06
Log S (ESOL)
-13.59
Class (ESOL)
Insoluble
Log S (Ali)
-17.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
5.23

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us