![CAS 1638767-37-9 2-chloro-5-methyl-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638767-37-9.gif)
CAS RN: 1638767-37-9
2-chloro-5-methyl-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-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.20260303 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-071407
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
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1638767-37-9 / 2-chloro-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
Basic Information
CAS
1638767-37-9
Multi CAS
No
Molecular Formula
C7H6ClN3O
Molecular Weight
183.590000
Exact Mass
183.019940
SMILES
CC1C2=CN=C(N=C2NC1=O)Cl
InChI
InChI=1S/C7H6ClN3O/c1-3-4-2-9-7(8)11-5(4)10-6(3)12/h2-3H,1H3,(H,9,10,11,12)
InChIKey
RCLGDKWRHABMQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.09
TPSA
54.88
LogP / Solubility
WLOGP
1.19
MLOGP
1.04
XLogP3
0.9
Consensus LogP
1.04
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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