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CAS RN: 16234-15-4
2-Chloro-4-(morpholin-4-yl)thieno[3,2-d]pyrimidine
- Product code: SSC-069887
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
16234-15-4 / 4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine
Basic Information
CAS
16234-15-4
Multi CAS
No
Molecular Formula
C10H10ClN3OS
Molecular Weight
255.720000
Exact Mass
255.023311
SMILES
C1COCCN1C2=NC(=NC3=C2SC=C3)Cl
InChI
InChI=1S/C10H10ClN3OS/c11-10-12-7-1-6-16-8(7)9(13-10)14-2-4-15-5-3-14/h1,6H,2-5H2
InChIKey
HKQMXHKNXRNUCF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
65.46
TPSA
38.25
LogP / Solubility
WLOGP
2.18
MLOGP
1.93
XLogP3
2.4
Consensus LogP
2.17
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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