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CAS 7464-11-1 3,5-dichloro-8-methyl-9-thia-2,4,7-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene molecular structure lightbox
CAS RN: 7464-11-1

3,5-dichloro-8-methyl-9-thia-2,4,7-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene

  • Product code: SSC-184076
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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 7464-11-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

7464-11-1 / 5,7-dichloro-2-methyl-[1,3]thiazolo[5,4-d]pyrimidine

Standard CAS: 7464-11-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7464-11-1
Multi CAS
No
Molecular Formula
C6H3CL2N3S
Molecular Weight
220.080000
Exact Mass
218.942474
InChI
InChI=1S/C6H3Cl2N3S/c1-2-9-3-4(7)10-6(8)11-5(3)12-2/h1H3
InChIKey
ZXOQUXADNLREKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
Molar refractivity
49.97
TPSA
38.67

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
3.3
Consensus LogP
2.79
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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)
-2.14

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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