![CAS 90993-29-6 2-Chloro-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/90993-29-6.gif)
CAS RN: 90993-29-6
2-Chloro-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250224 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-203745
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 |
90993-29-6 / 2-chloro-3,7a-dihydropyrrolo[3,2-d]pyrimidin-4-one
Basic Information
CAS
90993-29-6
Multi CAS
Yes
Molecular Formula
C6H4CLN3O
Molecular Weight
169.570000
Exact Mass
169.004290
InChI
InChI=1S/C6H4ClN3O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H,9,10,11)
InChIKey
BOTDTBVMCJWRRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.79
TPSA
53.82
LogP / Solubility
WLOGP
0.05
MLOGP
0.04
XLogP3
0.4
Consensus LogP
0.16
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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