[email protected]
CAS 1875036-75-1 BI8626 molecular structure lightbox
CAS RN: 1875036-75-1

BI8626

  • Product code: SSC-087165
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: 0.25g
  • 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 1875036-75-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1875036-75-1 / N-[[3-(aminomethyl)phenyl]methyl]-4-(4-benzylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-8-amine

Standard CAS: 1875036-75-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1875036-75-1
Multi CAS
No
Molecular Formula
C25H28N8
Molecular Weight
440.500000
Exact Mass
440.243693
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC4=C3N=CN=C4NCC5=CC=CC(=C5)CN
InChI
InChI=1S/C25H28N8/c26-14-20-7-4-8-21(13-20)15-27-24-22-23(29-17-30-24)25(31-18-28-22)33-11-9-32(10-12-33)16-19-5-2-1-3-6-19/h1-8,13,17-18H,9-12,14-16,26H2,(H,27,29,30)
InChIKey
DZDNGSNKWIORRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
22
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
2
Molar refractivity
130.72
TPSA
96.09

LogP / Solubility

WLOGP
2.81
MLOGP
2.5
XLogP3
2.3
Consensus LogP
2.54
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.41

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us