[email protected]
CAS 210347-56-1 Poly[[2,2′-bithiophene]-5,5′-diyl(9,9-dioctyl-9H-fluorene-2,7-diyl)] molecular structure lightbox
CAS RN: 210347-56-1

Poly[[2,2′-bithiophene]-5,5′-diyl(9,9-dioctyl-9H-fluorene-2,7-diyl)]

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260310 100mg In stock Shanghai, Hebei Inquiry
Batchno.20260512 25mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20251128 500mg Out of stock 5-7 business days Inquiry
  • Product code: LINP904451
GET A QUOTE

210347-56-1 / 2-(9,9-dioctylfluoren-2-yl)-5-thiophen-2-ylthiophene

Standard CAS: 210347-56-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210347-56-1
Multi CAS
No
Molecular Formula
C37H46S2
Molecular Weight
554.900000
Exact Mass
554.304094
SMILES
CCCCCCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC=C(S4)C5=CC=CS5)CCCCCCCC
InChI
InChI=1S/C37H46S2/c1-3-5-7-9-11-15-25-37(26-16-12-10-8-6-4-2)32-19-14-13-18-30(32)31-22-21-29(28-33(31)37)34-23-24-36(39-34)35-20-17-27-38-35/h13-14,17-24,27-28H,3-12,15-16,25-26H2,1-2H3
InChIKey
NYSNJWIFZVRDRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
22
Fraction Csp3
0.46
Rotatable bonds
16
H-bond acceptors
2
Molar refractivity
175.27
TPSA
56.5000

LogP / Solubility

WLOGP
12.91
MLOGP
11.4
XLogP3
14.7
Consensus LogP
13
Log S (ESOL)
-10.78
Class (ESOL)
Insoluble
Log S (Ali)
-13.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.9
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)
3.06

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