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CAS 1039364-87-8 3-bromo-6-phenylpyrazolo[1,5-a]pyrimidine molecular structure lightbox
CAS RN: 1039364-87-8

3-bromo-6-phenylpyrazolo[1,5-a]pyrimidine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251209 50mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-005594
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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: 1g
  • 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 1039364-87-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1039364-87-8 / 3-bromo-6-phenylpyrazolo[1,5-a]pyrimidine

3-BROMO-6-PHENYLPYRAZOLO[1,5-A]PYRIMIDINE | MFCD13192349 | DTXSID90857308

Standard CAS: 1039364-87-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1039364-87-8
Multi CAS
No
Molecular Formula
C12H8BrN3
Molecular Weight
274.120000
Exact Mass
272.990160
SMILES
C1=CC=C(C=C1)C2=CN3C(=C(C=N3)Br)N=C2
InChI
InChI=1S/C12H8BrN3/c13-11-7-15-16-8-10(6-14-12(11)16)9-4-2-1-3-5-9/h1-8H
InChIKey
MENYADATKVZLPD-UHFFFAOYSA-N
Synonyms
3-BROMO-6-PHENYLPYRAZOLO[1,5-A]PYRIMIDINE MFCD13192349 DTXSID90857308 AKOS022674382 AS-41774

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
66.12
TPSA
30.19

LogP / Solubility

WLOGP
3.16
MLOGP
2.79
XLogP3
2.6
Consensus LogP
2.85
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-2.15

Drug-likeness / Medicinal Chemistry

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

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