![CAS 1429882-36-9 7-Bromo-2-chloro-5H-pyrrolo[3,2-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1429882-36-9.gif)
CAS RN: 1429882-36-9
7-Bromo-2-chloro-5H-pyrrolo[3,2-d]pyrimidine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260425 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-054286
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: 0.25g, 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.
1429882-36-9 / 7-bromo-2-chloro-5H-pyrrolo[3,2-d]pyrimidine
Basic Information
CAS
1429882-36-9
Multi CAS
No
Molecular Formula
C6H3BrClN3
Molecular Weight
232.460000
Exact Mass
230.919890
SMILES
C1=C(C2=NC(=NC=C2N1)Cl)Br
InChI
InChI=1S/C6H3BrClN3/c7-3-1-9-4-2-10-6(8)11-5(3)4/h1-2,9H
InChIKey
XVPYDBHFZKKIDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.6
TPSA
41.57
LogP / Solubility
WLOGP
2.37
MLOGP
2.09
XLogP3
2.1
Consensus LogP
2.19
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-2.45
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 1429893-25-3 5H-Pyrazolo[5,1-b][1,3]oxazine, 3-bromo-2-(4-fluorophenyl)-6,7-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1429893-25-3.gif)
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