CAS RN: 1299420-90-8
2-chloro-7-methyl-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-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.20251121 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-036705
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 | Hong Kong | Inquiry |
1299420-90-8 / 2-chloro-7-methyl-9-(oxan-4-yl)purin-8-one
Basic Information
CAS
1299420-90-8
Multi CAS
No
Molecular Formula
C11H13ClN4O2
Molecular Weight
268.700000
Exact Mass
268.072703
SMILES
CN1C2=CN=C(N=C2N(C1=O)C3CCOCC3)Cl
InChI
InChI=1S/C11H13ClN4O2/c1-15-8-6-13-10(12)14-9(8)16(11(15)17)7-2-4-18-5-3-7/h6-7H,2-5H2,1H3
InChIKey
AFZXXTAPGPYFBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
66.87
TPSA
61.94
LogP / Solubility
WLOGP
1.13
MLOGP
1.01
XLogP3
0.9
Consensus LogP
1.01
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1299607-35-4 5-Bromo-2-chloro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
5-Bromo-2-chloro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
- CAS RN: 1299607-35-4
- Product Code: SSC-036714
-
5-Bromo-2-chloro-3-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
- CAS RN: 1299607-46-7
- Product Code: SSC-036715
-
-
-
Target Protein-binding moiety 4
- CAS RN: 1300019-38-8
- Product Code: starshine_CAS1300019-38-8
- Purity/Analytical method: >99.0%
-
![CAS 1299607-35-4 5-Bromo-2-chloro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1299607-35-4.gif)
![CAS 1299607-46-7 5-Bromo-2-chloro-3-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32555026.gif)
![CAS 1299607-55-8 1-Boc-5-broMo-1H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1299607-55-8.gif)
![CAS 1299607-72-9 7-Bromopyrido[3,2-d]pyrimidin-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1299607-72-9.gif)
