CAS RN: 21139-62-8
4,6-DICHLORO-2-(3,4-DICHLOROPHENYL)PYRIMIDINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260328 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS21139-62-8
- Purity/Analytical Methods: >99.0%
21139-62-8 / 4,6-dichloro-2-(3,4-dichlorophenyl)pyrimidine
Basic Information
CAS
21139-62-8
Multi CAS
No
Molecular Formula
C10H4Cl4N2
Molecular Weight
294.000000
Exact Mass
293.909909
SMILES
C1=CC(=C(C=C1C2=NC(=CC(=N2)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H4Cl4N2/c11-6-2-1-5(3-7(6)12)10-15-8(13)4-9(14)16-10/h1-4H
InChIKey
RKDPUBCFQFMCKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
67.51
TPSA
25.78
LogP / Solubility
WLOGP
4.76
MLOGP
4.2
XLogP3
5
Consensus LogP
4.65
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-1.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 21139-92-4 5H,6H,7H,8H-pyrido[2,3-d]pyriMidine-2,4-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/21139-92-4.gif)
