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CAS 29509-91-9 4-Chloro-2,6-diphenylpyrimidine molecular structure lightbox
CAS RN: 29509-91-9

4-Chloro-2,6-diphenylpyrimidine

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260208 100g Out of stock Inquiry
Batchno.20250412 10g In stock Inquiry
Batchno.20250825 1g In stock Inquiry
Batchno.20260509 25g In stock Inquiry
Batchno.20250508 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260420 10g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-132418
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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: 25g
  • 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 29509-91-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

29509-91-9 / 4-chloro-2,6-diphenylpyrimidine

Standard CAS: 29509-91-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29509-91-9
Multi CAS
Yes
Molecular Formula
C16H11CLN2
Molecular Weight
266.720000
Exact Mass
266.061076
InChI
InChI=1S/C16H11ClN2/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11H
InChIKey
MJDDVTZXYXHTRY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
77.91
TPSA
25.78

LogP / Solubility

WLOGP
4.46
MLOGP
3.94
XLogP3
4.5
Consensus LogP
4.3
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
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)
-1.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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