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CAS 1357087-30-9 5,7-dichloro-2-Methyl-2h-pyrazolo[4,3-d]pyriMidine molecular structure lightbox
CAS RN: 1357087-30-9

5,7-dichloro-2-Methyl-2h-pyrazolo[4,3-d]pyriMidine

  • Product code: SSC-044261
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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: 0.25g, 1g, 5g
  • Available purity: ≥95%
  • 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 1357087-30-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1357087-30-9 / 5,7-dichloro-2-methylpyrazolo[4,3-d]pyrimidine

Standard CAS: 1357087-30-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1357087-30-9
Multi CAS
No
Molecular Formula
C6H4Cl2N4
Molecular Weight
203.030000
Exact Mass
201.981302
SMILES
CN1C=C2C(=N1)C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C6H4Cl2N4/c1-12-2-3-4(11-12)5(7)10-6(8)9-3/h2H,1H3
InChIKey
PLFZXMBGZDYSSV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
Molar refractivity
46.32
TPSA
43.6

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
1.9
Consensus LogP
1.68
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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