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CAS 681260-54-8 4-CHLORO-6-(4-CHLOROPHENYL)THIENO[3,2-D]PYRIMIDINE molecular structure lightbox
CAS RN: 681260-54-8

4-CHLORO-6-(4-CHLOROPHENYL)THIENO[3,2-D]PYRIMIDINE

  • Product code: SSC-177851
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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 681260-54-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

681260-54-8 / 4-chloro-6-(4-chlorophenyl)thieno[3,2-d]pyrimidine

Standard CAS: 681260-54-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
681260-54-8
Multi CAS
No
Molecular Formula
C12H6CL2N2S
Molecular Weight
281.200000
Exact Mass
279.962875
InChI
InChI=1S/C12H6Cl2N2S/c13-8-3-1-7(2-4-8)10-5-9-11(17-10)12(14)16-6-15-9/h1-6H
InChIKey
STTIYJIDEDCZOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
72.87
TPSA
25.78

LogP / Solubility

WLOGP
4.67
MLOGP
4.12
XLogP3
4.6
Consensus LogP
4.46
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
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)
-1.12

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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