[email protected]
CAS 2097565-50-7 N,N’,N”-tris(3-aminoquinolino)phosphoric triamide molecular structure lightbox
CAS RN: 2097565-50-7

N,N’,N”-tris(3-aminoquinolino)phosphoric triamide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251015 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-099560
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: 1g
  • Available purity: ＞97%
  • 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 2097565-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

2097565-50-7 / N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine

Standard CAS: 2097565-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2097565-50-7
Multi CAS
No
Molecular Formula
C27H21N6OP
Molecular Weight
476.500000
Exact Mass
476.151446
SMILES
C1=CC=C2C(=C1)C=C(C=N2)NP(=O)(NC3=CC4=CC=CC=C4N=C3)NC5=CC6=CC=CC=C6N=C5
InChI
InChI=1S/C27H21N6OP/c34-35(31-22-13-19-7-1-4-10-25(19)28-16-22,32-23-14-20-8-2-5-11-26(20)29-17-23)33-24-15-21-9-3-6-12-27(21)30-18-24/h1-18H,(H3,31,32,33,34)
InChIKey
BYBPCRHFHINSTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
30
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
143.7
TPSA
91.83

LogP / Solubility

WLOGP
7.08
MLOGP
6.26
XLogP3
5.8
Consensus LogP
6.38
Log S (ESOL)
-7.49
Class (ESOL)
Insoluble
Log S (Ali)
-8.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.35
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us