[email protected]
CAS 294646-77-8 2-(R)-(1-Ethyl-2-hydroxyethylamino)-6-(4-(2-pyridyl)benzyl)-9-isopropylpurinetrihydrochloride molecular structure lightbox
CAS RN: 294646-77-8

2-(R)-(1-Ethyl-2-hydroxyethylamino)-6-(4-(2-pyridyl)benzyl)-9-isopropylpurinetrihydrochloride

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260302 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20251113 10mg In stock Shanghai Inquiry
Batchno.20250723 1g Out of stock Inquiry
Batchno.20250914 1mg In stock Shanghai Inquiry
Batchno.20251022 1mg / 10mg Confirm by inquiry Shanghai Inquiry
Batchno.20260327 250mg In stock Shanghai Inquiry
Batchno.20250122 25mg In stock Shanghai Inquiry
Batchno.20250613 50mg In stock Shanghai Inquiry
  • Product code: SSC-132324
GET A QUOTE
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: 0.025g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 294646-77-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.025g ≥95% 0 Out of Stock Hong Kong Inquiry

294646-77-8 / (2R)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butan-1-ol

Standard CAS: 294646-77-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
294646-77-8
Multi CAS
Yes
Molecular Formula
C24H29N7O
Molecular Weight
431.500000
Exact Mass
431.243359
InChI
InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m1/s1
InChIKey
HOCBJBNQIQQQGT-LJQANCHMSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
21
Fraction Csp3
0.33
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
3
Molar refractivity
127.5
TPSA
100.78

LogP / Solubility

WLOGP
4.26
MLOGP
3.78
XLogP3
3.8
Consensus LogP
3.95
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us