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CAS 190723-14-9 1,3-Dibromo-5-butyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione molecular structure lightbox
CAS RN: 190723-14-9

1,3-Dibromo-5-butyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260423 100mg Out of stock Inquiry
Batchno.20260126 1g Out of stock Inquiry
Batchno.20250413 250mg Out of stock Inquiry
  • Product code: starshine_CAS190723-14-9
  • Purity/Analytical Methods: >99.0%
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190723-14-9 / 1,3-dibromo-5-butylthieno[3,4-c]pyrrole-4,6-dione

Standard CAS: 190723-14-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
190723-14-9
Multi CAS
No
Molecular Formula
C10H9Br2NO2S
Molecular Weight
367.060000
Exact Mass
366.870030
SMILES
CCCCN1C(=O)C2=C(SC(=C2C1=O)Br)Br
InChI
InChI=1S/C10H9Br2NO2S/c1-2-3-4-13-9(14)5-6(10(13)15)8(12)16-7(5)11/h2-4H2,1H3
InChIKey
QIEDHDBRHPTGIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
69.99
TPSA
37.38

LogP / Solubility

WLOGP
3.67
MLOGP
3.25
XLogP3
3.9
Consensus LogP
3.61
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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