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CAS 1037479-62-1 4,6-dichloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidine molecular structure lightbox
CAS RN: 1037479-62-1

4,6-dichloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260303 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-005357
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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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1037479-62-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1037479-62-1 / 4,6-dichloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine

4,6-dichloro-1-(oxan-2-yl)-1h-pyrazolo[3,4-d]pyrimidine | 4,6-dichloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidine | MFCD26394969

Standard CAS: 1037479-62-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1037479-62-1
Multi CAS
No
Molecular Formula
C10H10Cl2N4O
Molecular Weight
273.120000
Exact Mass
272.023166
SMILES
C1CCOC(C1)N2C3=C(C=N2)C(=NC(=N3)Cl)Cl
InChI
InChI=1S/C10H10Cl2N4O/c11-8-6-5-13-16(7-3-1-2-4-17-7)9(6)15-10(12)14-8/h5,7H,1-4H2
InChIKey
VMIPTJUFAWNUEU-UHFFFAOYSA-N
Synonyms
4,6-dichloro-1-(oxan-2-yl)-1h-pyrazolo[3,4-d]pyrimidine 4,6-dichloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidine MFCD26394969 4,6-dichloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine SCHEMBL56169

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
2.9
Consensus LogP
2.74
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

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