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CAS 2272-40-4 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine molecular structure lightbox
CAS RN: 2272-40-4

4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250227 100mg In stock Shanghai Inquiry
Batchno.20250522 1g In stock Shanghai Inquiry
Batchno.20250209 250mg In stock Shanghai Inquiry
  • Product code: SSC-110800
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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: ＞97%
  • 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 2272-40-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

2272-40-4 / 4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine

Standard CAS: 2272-40-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2272-40-4
Multi CAS
No
Molecular Formula
C9H6Cl2N4
Molecular Weight
241.070000
Exact Mass
239.996952
SMILES
C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)Cl
InChI
InChI=1S/C9H6Cl2N4/c10-7-13-8(11)15-9(14-7)12-6-4-2-1-3-5-6/h1-5H,(H,12,13,14,15)
InChIKey
SACFASUHQGNXOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.57
TPSA
50.7

LogP / Solubility

WLOGP
2.92
MLOGP
2.58
XLogP3
3.8
Consensus LogP
3.1
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12

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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