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CAS 1973-09-7 AKOS BBS-00005387 molecular structure lightbox
CAS RN: 1973-09-7

AKOS BBS-00005387

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251126 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260128 10g Out of stock Inquiry
Batchno.20250302 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260205 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250510 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-093040
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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: 5g
  • 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 1973-09-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1973-09-7 / 6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine

Standard CAS: 1973-09-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1973-09-7
Multi CAS
No
Molecular Formula
C15H12ClN5
Molecular Weight
297.740000
Exact Mass
297.078123
SMILES
C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC=CC=C3
InChI
InChI=1S/C15H12ClN5/c16-13-19-14(17-11-7-3-1-4-8-11)21-15(20-13)18-12-9-5-2-6-10-12/h1-10H,(H2,17,18,19,20,21)
InChIKey
AHBSUJXKRKWNBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
84.29
TPSA
62.73

LogP / Solubility

WLOGP
4.01
MLOGP
3.54
XLogP3
4.7
Consensus LogP
4.08
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69

Drug-likeness / Medicinal Chemistry

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

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