![CAS 87466-23-7 2,4-dichloro-7,8-dihydro-6H-Thiopyrano[3,2-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/87466-23-7.gif)
CAS RN: 87466-23-7
2,4-dichloro-7,8-dihydro-6H-Thiopyrano[3,2-d]pyrimidine
- Product code: SSC-197458
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
87466-23-7 / 2,4-dichloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine
Basic Information
CAS
87466-23-7
Multi CAS
No
Molecular Formula
C7H6CL2N2S
Molecular Weight
221.110000
Exact Mass
219.962875
InChI
InChI=1S/C7H6Cl2N2S/c8-6-5-4(2-1-3-12-5)10-7(9)11-6/h1-3H2
InChIKey
HIKOVOQFJFSCLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
H-bond acceptors
3
Molar refractivity
51.1
TPSA
25.78
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
3.1
Consensus LogP
2.8
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
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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