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CAS 272-68-4 Thieno[3,2-d]pyrimidine (8CI,9CI) molecular structure lightbox
CAS RN: 272-68-4

Thieno[3,2-d]pyrimidine (8CI,9CI)

  • Product code: SSC-126097
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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 272-68-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

272-68-4 / thieno[3,2-d]pyrimidine

Standard CAS: 272-68-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
272-68-4
Multi CAS
No
Molecular Formula
C6H4N2S
Molecular Weight
136.180000
Exact Mass
136.009519
InChI
InChI=1S/C6H4N2S/c1-2-9-6-3-7-4-8-5(1)6/h1-4H
InChIKey
RBNBDIMXFJYDLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
37.42
TPSA
25.78

LogP / Solubility

WLOGP
1.69
MLOGP
1.48
XLogP3
1.3
Consensus LogP
1.49
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

Drug-likeness / Medicinal Chemistry

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

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