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CAS 34576-85-7 3,6-DICHLORO-BENZO[B]THIOPHENE-2-CARBONYL CHLORIDE molecular structure lightbox
CAS RN: 34576-85-7

3,6-DICHLORO-BENZO[B]THIOPHENE-2-CARBONYL CHLORIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260119 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS34576-85-7
  • Purity/Analytical Methods: >99.0%
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34576-85-7 / 3,6-dichloro-1-benzothiophene-2-carbonyl chloride

Standard CAS: 34576-85-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34576-85-7
Multi CAS
Yes
Molecular Formula
C9H3CL3OS
Molecular Weight
265.500000
Exact Mass
263.897019
InChI
InChI=1S/C9H3Cl3OS/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H
InChIKey
JCTLRFNZVZCAHR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
62.03
TPSA
17.07

LogP / Solubility

WLOGP
4.59
MLOGP
4.04
XLogP3
5
Consensus LogP
4.54
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.08

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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