![CAS 346599-63-1 4-chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/346599-63-1.gif)
CAS RN: 346599-63-1
4-chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
- Product code: SSC-141208
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.25g, 5g, 10g, 25g, 100g, 1000g
- Available purity: ≥95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 3 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 5g | -- | 1 In Stock | Beijing | Inquiry |
| 10g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | -- | 0 Out of Stock | Beijing | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 100g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Shanghai | Inquiry |
346599-63-1 / 4-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
Basic Information
CAS
346599-63-1
Multi CAS
No
Molecular Formula
C6H4CLN3O
Molecular Weight
169.570000
Exact Mass
169.004290
InChI
InChI=1S/C6H4ClN3O/c7-5-3-1-4(11)10-6(3)9-2-8-5/h2H,1H2,(H,8,9,10,11)
InChIKey
PKKYYNMRPXEIFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.38
TPSA
54.88
LogP / Solubility
WLOGP
0.62
MLOGP
0.55
XLogP3
0.3
Consensus LogP
0.49
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
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)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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