![CAS 1289151-91-2 ethyl 5,7-dichloroimidazo[1,2-c]pyrimidine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1289151-91-2.gif)
CAS RN: 1289151-91-2
ethyl 5,7-dichloroimidazo[1,2-c]pyrimidine-2-carboxylate
- Product code: SSC-036095
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 | Shenzhen | Inquiry |
1289151-91-2 / ethyl 5,7-dichloroimidazo[1,2-c]pyrimidine-2-carboxylate
Basic Information
CAS
1289151-91-2
Multi CAS
No
Molecular Formula
C9H7Cl2N3O2
Molecular Weight
260.070000
Exact Mass
258.991532
SMILES
CCOC(=O)C1=CN2C(=N1)C=C(N=C2Cl)Cl
InChI
InChI=1S/C9H7Cl2N3O2/c1-2-16-8(15)5-4-14-7(12-5)3-6(10)13-9(14)11/h3-4H,2H2,1H3
InChIKey
FMUXHTXTSSEQQO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
58.96
TPSA
56.49
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
3.6
Consensus LogP
2.59
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
4-AMino-5-chloronicotinaldehyde
- CAS RN: 1289175-56-9
- Product Code: starshine_CAS1289175-56-9
- Purity/Analytical method: >99.0%
-
-
-
![CAS 1289187-97-8 6-chloropyrido[3,4-d]pyrimidin-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1289187-97-8.gif)
