![CAS 129872-84-0 2-chloro-5-Methyl-3H-pyrrolo[3,2-d]pyriMidin-4(5H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/129872-84-0.gif)
CAS RN: 129872-84-0
2-chloro-5-Methyl-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.20260522 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-036679
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 | Beijing | Inquiry |
129872-84-0 / 2-chloro-5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
Basic Information
CAS
129872-84-0
Multi CAS
No
Molecular Formula
C7H6ClN3O
Molecular Weight
183.590000
Exact Mass
183.019940
SMILES
CN1C=CC2=C1C(=O)NC(=N2)Cl
InChI
InChI=1S/C7H6ClN3O/c1-11-3-2-4-5(11)6(12)10-7(8)9-4/h2-3H,1H3,(H,9,10,12)
InChIKey
BOPHQDOBIRBJOS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.34
TPSA
50.68
LogP / Solubility
WLOGP
0.91
MLOGP
0.8
XLogP3
0.8
Consensus LogP
0.84
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-3.19
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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