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CAS 85826-33-1 5-ALLYL-4,6-DICHLORO-2-METHYLPYRIMIDINE molecular structure lightbox
CAS RN: 85826-33-1

5-ALLYL-4,6-DICHLORO-2-METHYLPYRIMIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260418 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-194465
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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 85826-33-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

85826-33-1 / 4,6-dichloro-2-methyl-5-prop-2-enylpyrimidine

Standard CAS: 85826-33-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85826-33-1
Multi CAS
Yes
Molecular Formula
C8H8CL2N2
Molecular Weight
203.070000
Exact Mass
202.006454
InChI
InChI=1S/C8H8Cl2N2/c1-3-4-6-7(9)11-5(2)12-8(6)10/h3H,1,4H2,2H3
InChIKey
APGYFDQRXYNDHT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
50.69
TPSA
25.78

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
3.6
Consensus LogP
2.97
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-1.96

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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