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CAS 1030380-50-7 4,6-Bis(3,5-dichlorophenyl)-2-methylpyrimidine molecular structure lightbox
CAS RN: 1030380-50-7

4,6-Bis(3,5-dichlorophenyl)-2-methylpyrimidine

  • Product code: SSC-004479
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1030380-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1030380-50-7 / 4,6-bis(3,5-dichlorophenyl)-2-methylpyrimidine

4,6-BIS(3,5-DICHLOROPHENYL)-2-METHYLPYRIMIDINE | MFCD32857495 | C17H10Cl4N2

Standard CAS: 1030380-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1030380-50-7
Multi CAS
No
Molecular Formula
C17H10Cl4N2
Molecular Weight
384.100000
Exact Mass
383.956859
SMILES
CC1=NC(=CC(=N1)C2=CC(=CC(=C2)Cl)Cl)C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C17H10Cl4N2/c1-9-22-16(10-2-12(18)6-13(19)3-10)8-17(23-9)11-4-14(20)7-15(21)5-11/h2-8H,1H3
InChIKey
XTGFEBOHSVVMNP-UHFFFAOYSA-N
Synonyms
4,6-BIS(3,5-DICHLOROPHENYL)-2-METHYLPYRIMIDINE MFCD32857495 C17H10Cl4N2 SCHEMBL18538205 XTGFEBOHSVVMNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
97.68
TPSA
25.78

LogP / Solubility

WLOGP
6.73
MLOGP
5.95
XLogP3
6.4
Consensus LogP
6.36
Log S (ESOL)
-6.91
Class (ESOL)
Insoluble
Log S (Ali)
-7.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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