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CAS 688348-25-6 1,3-DICHLORO-5-[(1E)-2-(4-CHLOROPHENYL)ETHENYL]-BENZENE molecular structure lightbox
CAS RN: 688348-25-6

1,3-DICHLORO-5-[(1E)-2-(4-CHLOROPHENYL)ETHENYL]-BENZENE

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251105 100mg In stock Inquiry
Batchno.20250814 10mg In stock Inquiry
Batchno.20260212 10mg / 50mg Out of stock 5-7 business days Inquiry
Batchno.20250203 50mg In stock Inquiry
  • Product code: starshine_CAS688348-25-6
  • Purity/Analytical Methods: >99.0%
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688348-25-6 / 1,3-dichloro-5-[(E)-2-(4-chlorophenyl)ethenyl]benzene

Standard CAS: 688348-25-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
688348-25-6
Multi CAS
Yes
Molecular Formula
C14H9CL3
Molecular Weight
283.600000
Exact Mass
281.976983
InChI
InChI=1S/C14H9Cl3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9H/b2-1+
InChIKey
JMYNPQVCVQVODQ-OWOJBTEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
Molar refractivity
76.84
TPSA
0.0000

LogP / Solubility

WLOGP
5.82
MLOGP
5.13
XLogP3
6.1
Consensus LogP
5.68
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.57
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.32

Drug-likeness / Medicinal Chemistry

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

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