![CAS 55115-80-5 4-CHLOROPYRIDO[3′,2′:4,5]THIENO[3,2-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4197472.gif)
CAS RN: 55115-80-5
4-CHLOROPYRIDO[3′,2′:4,5]THIENO[3,2-D]PYRIMIDINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250810 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS55115-80-5
- Purity/Analytical Methods: >99.0%
55115-80-5 / 6-chloro-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Basic Information
CAS
55115-80-5
Multi CAS
Yes
Molecular Formula
C9H4CLN3S
Molecular Weight
221.670000
Exact Mass
220.981446
InChI
InChI=1S/C9H4ClN3S/c10-8-7-6(12-4-13-8)5-2-1-3-11-9(5)14-7/h1-4H
InChIKey
QCUXTBKFKCTJIQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
13
H-bond acceptors
4
Molar refractivity
57.73
TPSA
38.67
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
2.9
Consensus LogP
2.78
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.02
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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