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CAS 34379-53-8 3,4-dichloro-1-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione molecular structure lightbox
CAS RN: 34379-53-8

3,4-dichloro-1-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250226 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS34379-53-8
  • Purity/Analytical Methods: >99.0%
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34379-53-8 / 3,4-dichloro-1-(4-methoxyphenyl)pyrrole-2,5-dione

Standard CAS: 34379-53-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34379-53-8
Multi CAS
No
Molecular Formula
C11H7CL2NO3
Molecular Weight
272.080000
Exact Mass
270.980299
InChI
InChI=1S/C11H7Cl2NO3/c1-17-7-4-2-6(3-5-7)14-10(15)8(12)9(13)11(14)16/h2-5H,1H3
InChIKey
YVTFIECPUFOBMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
64.22
TPSA
46.61

LogP / Solubility

WLOGP
2.26
MLOGP
2
XLogP3
2.7
Consensus LogP
2.32
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

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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