![CAS 683274-67-1 4-(Piperazin-1-yl)thieno[3,2-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3956559.gif)
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
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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
683274-67-1 / 4-piperazin-1-ylthieno[3,2-d]pyrimidine
Basic Information
CAS
683274-67-1
Multi CAS
No
Molecular Formula
C10H12N4S
Molecular Weight
220.300000
Exact Mass
220.078268
InChI
InChI=1S/C10H12N4S/c1-6-15-9-8(1)12-7-13-10(9)14-4-2-11-3-5-14/h1,6-7,11H,2-5H2
InChIKey
GVNSLBIXJYZCCB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.5
TPSA
41.05
LogP / Solubility
WLOGP
1.1
MLOGP
0.97
XLogP3
0.6
Consensus LogP
0.89
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-3.28
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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