![CAS 955979-02-9 2-chloro-7-Methyl-4-Morpholinothieno[3,2-d]pyriMidine-6-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/955979-02-9.gif)
CAS RN: 955979-02-9
2-chloro-7-Methyl-4-Morpholinothieno[3,2-d]pyriMidine-6-carbaldehyde
- Product code: SSC-211058
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 | Shanghai | Inquiry |
955979-02-9 / 2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbaldehyde
Basic Information
CAS
955979-02-9
Multi CAS
No
Molecular Formula
C12H12CLN3O2S
Molecular Weight
297.760000
Exact Mass
297.033876
InChI
InChI=1S/C12H12ClN3O2S/c1-7-8(6-17)19-10-9(7)14-12(13)15-11(10)16-2-4-18-5-3-16/h6H,2-5H2,1H3
InChIKey
PNFPJVXECCRKQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
75.58
TPSA
55.32
LogP / Solubility
WLOGP
2.3
MLOGP
2.04
XLogP3
2.5
Consensus LogP
2.28
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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