[email protected]
CAS 1320288-17-2 UNC0646 molecular structure lightbox
CAS RN: 1320288-17-2

UNC0646

Product Availability

Choose a grade to view its available package options.

6 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260623 5mg / 10mg / 25mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251218 100mg Out of stock Inquiry
Batchno.20250504 10mg In stock Shanghai Inquiry
Batchno.20250930 250mg Out of stock Inquiry
Batchno.20260412 25mg Out of stock Inquiry
Batchno.20250222 50mg Out of stock Inquiry
  • Product code: starshine_CAS1320288-17-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1320288-17-2 / N-(1-cyclohexylpiperidin-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-4-amine

Standard CAS: 1320288-17-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1320288-17-2
Multi CAS
No
Molecular Formula
C36H59N7O2
Molecular Weight
621.900000
Exact Mass
621.473024
SMILES
CC(C)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C5CCCCC5)OC)OCCCN6CCCCC6
InChI
InChI=1S/C36H59N7O2/c1-28(2)41-19-10-20-43(24-23-41)36-38-32-27-34(45-25-11-18-40-16-8-5-9-17-40)33(44-3)26-31(32)35(39-36)37-29-14-21-42(22-15-29)30-12-6-4-7-13-30/h26-30H,4-25H2,1-3H3,(H,37,38,39)
InChIKey
OUKWLRHRXOPODD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
10
Fraction Csp3
0.78
Rotatable bonds
11
H-bond acceptors
9
H-bond donors
1
Molar refractivity
185.12
TPSA
69.23

LogP / Solubility

WLOGP
6.02
MLOGP
5.35
XLogP3
6.9
Consensus LogP
6.09
Log S (ESOL)
-6.93
Class (ESOL)
Insoluble
Log S (Ali)
-9.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us