[email protected]
CAS 185350-30-5 Benzofuro[5,6-b]furan-4,8-dione molecular structure lightbox
CAS RN: 185350-30-5

Benzofuro[5,6-b]furan-4,8-dione

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250701 100mg / 500mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS185350-30-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

185350-30-5 / 5-bromo-2-[5-(5-bromo-3-octylthiophen-2-yl)thiophen-2-yl]-3-octylthiophene

Standard CAS: 185350-30-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
185350-30-5
Multi CAS
No
Molecular Formula
C28H38Br2S3
Molecular Weight
630.600000
Exact Mass
630.048190
SMILES
CCCCCCCCC1=C(SC(=C1)Br)C2=CC=C(S2)C3=C(C=C(S3)Br)CCCCCCCC
InChI
InChI=1S/C28H38Br2S3/c1-3-5-7-9-11-13-15-21-19-25(29)32-27(21)23-17-18-24(31-23)28-22(20-26(30)33-28)16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
InChIKey
JCOFNOXAMGOEFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
15
Fraction Csp3
0.57
Rotatable bonds
16
H-bond acceptors
3
Molar refractivity
160.5
TPSA
84.7000

LogP / Solubility

WLOGP
12.54
MLOGP
11.08
XLogP3
14.5
Consensus LogP
12.71
Log S (ESOL)
-10.93
Class (ESOL)
Insoluble
Log S (Ali)
-13.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.08
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)
2.33

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
2.5

Customers Also Viewed

Get In Touch

Contact Us