CAS RN: 20419-68-5
2,6-Dichloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
- Product code: SSC-096046
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
20419-68-5 / 2,6-dichloro-9-(oxan-2-yl)purine
Basic Information
CAS
20419-68-5
Multi CAS
No
Molecular Formula
C10H10Cl2N4O
Molecular Weight
273.120000
Exact Mass
272.023166
SMILES
C1CCOC(C1)N2C=NC3=C2N=C(N=C3Cl)Cl
InChI
InChI=1S/C10H10Cl2N4O/c11-8-7-9(15-10(12)14-8)16(5-13-7)6-3-1-2-4-17-6/h5-6H,1-4H2
InChIKey
ASNBMEFTEPQHDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
64.18
TPSA
52.83
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
2.5
Consensus LogP
2.61
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 20419-71-0 Ethyl 7-Bromo-2,4-diethoxy-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Ethyl 7-Bromo-2,4-diethoxy-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate
- CAS RN: 20419-71-0
- Product Code: SSC-096047
-
BOC-D-DAP(ALOC)-OH DCHA
- CAS RN: 204197-26-2
- Product Code: starshine_CAS204197-26-2
- Purity/Analytical method: >99.0%
-
2,6-BIS[1-(2,6-DI-I-PROPYLPHENYLIMINO)ETHYL]PYRIDINE
- CAS RN: 204203-14-5
- Product Code: SSC-096055
-
2,6-Bis[1-[(2,6-diMethylphenyl)iMino]ethyl]pyridine
- CAS RN: 204203-16-7
- Product Code: SSC-096056
-
Benzenamine, N,N’-(2,6-pyridinediyldiethylidyne)bis[2-(1,1-dimethylethyl)-
- CAS RN: 204203-17-8
- Product Code: SSC-096057
-
2-(1-(4-Chlorophenylmethyl)-1H-indol-3-yl)-2-oxo-N-(pyridin-4-yl)acetamide
- CAS RN: 204205-90-3
- Product Code: SSC-096059
![CAS 20419-71-0 Ethyl 7-Bromo-2,4-diethoxy-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/20419-71-0.gif)
![CAS 204203-14-5 2,6-BIS[1-(2,6-DI-I-PROPYLPHENYLIMINO)ETHYL]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/204203-14-5.gif)
![CAS 204203-16-7 2,6-Bis[1-[(2,6-diMethylphenyl)iMino]ethyl]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/204203-16-7.gif)
