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CAS RN: 3876-05-9
2 3-DICHLORO-N-PHENYLMALEIMIDE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250524 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS3876-05-9
- Purity/Analytical Methods: >99.0%
3876-05-9 / 3,4-dichloro-1-phenylpyrrole-2,5-dione
Basic Information
CAS
3876-05-9
Multi CAS
No
Molecular Formula
C10H5CL2NO2
Molecular Weight
242.050000
Exact Mass
240.969734
InChI
InChI=1S/C10H5Cl2NO2/c11-7-8(12)10(15)13(9(7)14)6-4-2-1-3-5-6/h1-5H
InChIKey
CZLKFADFZAWWBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
57.67
TPSA
37.38
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
2.7
Consensus LogP
2.31
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
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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