[email protected]
CAS 29244-55-1 1-(4-Methylphenyl)-3,4-dichloro-3-pyrroline-2,5-dione molecular structure lightbox
CAS RN: 29244-55-1

1-(4-Methylphenyl)-3,4-dichloro-3-pyrroline-2,5-dione

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260523 25mg / 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS29244-55-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

29244-55-1 / 3,4-dichloro-1-(4-methylphenyl)pyrrole-2,5-dione

Standard CAS: 29244-55-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29244-55-1
Multi CAS
No
Molecular Formula
C11H7CL2NO2
Molecular Weight
256.080000
Exact Mass
254.985384
InChI
InChI=1S/C11H7Cl2NO2/c1-6-2-4-7(5-3-6)14-10(15)8(12)9(13)11(14)16/h2-5H,1H3
InChIKey
BMIYQLIZIPDXAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
62.4
TPSA
37.38

LogP / Solubility

WLOGP
2.56
MLOGP
2.26
XLogP3
3.1
Consensus LogP
2.64
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-2.47

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

Customers Also Viewed

Get In Touch

Contact Us