![CAS 1823243-43-1 ETHYL 2-(4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)ACETATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823243-43-1.gif)
CAS RN: 1823243-43-1
ETHYL 2-(4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)ACETATE
- Product code: SSC-083492
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1823243-43-1 / ethyl 2-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetate
Basic Information
CAS
1823243-43-1
Multi CAS
No
Molecular Formula
C10H10ClN3O2
Molecular Weight
239.660000
Exact Mass
239.046154
SMILES
CCOC(=O)CN1C=CC2=C1N=CN=C2Cl
InChI
InChI=1S/C10H10ClN3O2/c1-2-16-8(15)5-14-4-3-7-9(11)12-6-13-10(7)14/h3-4,6H,2,5H2,1H3
InChIKey
ZZUPLAPDAMQXOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
59.17
TPSA
57.01
LogP / Solubility
WLOGP
1.65
MLOGP
1.45
XLogP3
2
Consensus LogP
1.7
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01
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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![CAS 1823247-17-1 benzyl 4-chloro-5H,6H,7H-pyrrolo[3,4-d]pyrimidine-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823247-17-1.gif)
