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CAS 1883460-37-4 2,2′-(4,8-Bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b’]dithiophene-2,6-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) molecular structure lightbox
CAS RN: 1883460-37-4

2,2′-(4,8-Bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b’]dithiophene-2,6-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251225 100mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251214 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250819 1g Out of stock Inquiry
Batchno.20251015 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: starshine_CAS1883460-37-4
  • Purity/Analytical Methods: >99.0%
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1883460-37-4 / 2-[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-f][1]benzothiol-6-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 1883460-37-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1883460-37-4
Multi CAS
No
Molecular Formula
C46H64B2O4S4
Molecular Weight
830.900000
Exact Mass
830.387356
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C4=C(C=C(S4)B5OC(C(O5)(C)C)(C)C)C(=C3S2)C6=CC=C(S6)CC(CC)CCCC)C7=CC=C(S7)CC(CC)CCCC
InChI
InChI=1S/C46H64B2O4S4/c1-13-17-19-29(15-3)25-31-21-23-35(53-31)39-33-27-37(47-49-43(5,6)44(7,8)50-47)56-42(33)40(36-24-22-32(54-36)26-30(16-4)20-18-14-2)34-28-38(55-41(34)39)48-51-45(9,10)46(11,12)52-48/h21-24,27-30H,13-20,25-26H2,1-12H3
InChIKey
KHVLRUAMZCDCTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
22
Fraction Csp3
0.61
Rotatable bonds
16
H-bond acceptors
8
Molar refractivity
249.29
TPSA
36.92

LogP / Solubility

WLOGP
13.69
MLOGP
12.12
XLogP3
13.69
Consensus LogP
13.17
Log S (ESOL)
-12.85
Class (ESOL)
Insoluble
Log S (Ali)
-16.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.34
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)
1.93

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
7

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