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CAS 1391764-83-2 “4,5‐b’]difuran” molecular structure lightbox
CAS RN: 1391764-83-2

“4,5‐b’]difuran”

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260308 100mg / 500mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250111 100mg In stock Shenzhen Inquiry
Batchno.20250806 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20260403 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS1391764-83-2
  • Purity/Analytical Methods: >99.0%
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1391764-83-2 / [4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylfuro[2,3-f][1]benzofuran-6-yl]-trimethylstannane

Standard CAS: 1391764-83-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1391764-83-2
Multi CAS
No
Molecular Formula
C40H58O2S2Sn2
Molecular Weight
872.400000
Exact Mass
872.191630
SMILES
CCCCC(CC)CC1=CC=C(S1)C2=C3C=C(OC3=C(C4=C2OC(=C4)[Sn](C)(C)C)C5=CC=C(S5)CC(CC)CCCC)[Sn](C)(C)C
InChI
InChI=1S/C34H40O2S2.6CH3.2Sn/c1-5-9-11-23(7-3)21-25-13-15-29(37-25)31-27-17-19-36-34(27)32(28-18-20-35-33(28)31)30-16-14-26(38-30)22-24(8-4)12-10-6-2;;;;;;;;/h13-18,23-24H,5-12,21-22H2,1-4H3;6*1H3;;
InChIKey
DDAQRPJWHQOKOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
22
Fraction Csp3
0.55
Rotatable bonds
16
H-bond acceptors
4
Molar refractivity
212.59
TPSA
26.28

LogP / Solubility

WLOGP
13.24
MLOGP
11.74
XLogP3
13.24
Consensus LogP
12.74
Log S (ESOL)
-12.89
Class (ESOL)
Insoluble
Log S (Ali)
-16.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.24
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)
1.36

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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