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CAS 350997-39-6 3,4-DICHLORO-1-BENZOTHIOPHENE-2-CARBOHYDRAZIDE molecular structure lightbox
CAS RN: 350997-39-6

3,4-DICHLORO-1-BENZOTHIOPHENE-2-CARBOHYDRAZIDE

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260218 5mg / 10mg / 50mg / 100mg / 250mg Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250902 100mg Out of stock Inquiry
Batchno.20250130 10mg In stock Shanghai Inquiry
Batchno.20250412 25mg In stock Shanghai Inquiry
Batchno.20250605 50mg Out of stock Inquiry
  • Product code: starshine_CAS350997-39-6
  • Purity/Analytical Methods: >99.0%
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350997-39-6 / 3,4-dichloro-1-benzothiophene-2-carbohydrazide

Standard CAS: 350997-39-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
350997-39-6
Multi CAS
No
Molecular Formula
C9H6CL2N2OS
Molecular Weight
261.130000
Exact Mass
259.957789
InChI
InChI=1S/C9H6Cl2N2OS/c10-4-2-1-3-5-6(4)7(11)8(15-5)9(14)13-12/h1-3H,12H2,(H,13,14)
InChIKey
HSSHUDKWJRJKPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.5
TPSA
55.12

LogP / Solubility

WLOGP
2.81
MLOGP
2.48
XLogP3
3.1
Consensus LogP
2.8
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

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

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