[email protected]
CAS 68510-70-3 3-BROMO-7-CHLORO-1H-PYRAZOLO[4,3-D]PYRIMIDINE molecular structure lightbox
CAS RN: 68510-70-3

3-BROMO-7-CHLORO-1H-PYRAZOLO[4,3-D]PYRIMIDINE

  • Product code: SSC-178241
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 68510-70-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

68510-70-3 / 3-bromo-7-chloro-2H-pyrazolo[4,3-d]pyrimidine

Standard CAS: 68510-70-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68510-70-3
Multi CAS
No
Molecular Formula
C5H2BRCLN4
Molecular Weight
233.450000
Exact Mass
231.915140
InChI
InChI=1S/C5H2BrClN4/c6-4-2-3(10-11-4)5(7)9-1-8-2/h1H,(H,10,11)
InChIKey
XPKPUGOHSKBKHT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.39
TPSA
54.46

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1.9
Consensus LogP
1.74
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.89

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us