![CAS 87478-74-8 2,4-dichloro-6-ethyl-Thieno[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/87478-74-8.gif)
CAS RN: 87478-74-8
2,4-dichloro-6-ethyl-Thieno[2,3-d]pyrimidine
- Product code: SSC-197483
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 | Beijing | Inquiry |
87478-74-8 / 2,4-dichloro-6-ethylthieno[2,3-d]pyrimidine
Basic Information
CAS
87478-74-8
Multi CAS
No
Molecular Formula
C8H6CL2N2S
Molecular Weight
233.120000
Exact Mass
231.962875
InChI
InChI=1S/C8H6Cl2N2S/c1-2-4-3-5-6(9)11-8(10)12-7(5)13-4/h3H,2H2,1H3
InChIKey
WILLJMUZTUFCPD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
56.81
TPSA
25.78
LogP / Solubility
WLOGP
3.56
MLOGP
3.14
XLogP3
4.3
Consensus LogP
3.67
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly 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)
-1.61
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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