[email protected]
CAS 864289-85-0 2-[1,4′-Bipiperidin]-1′-yl-N-cycloheptyl-6,7-dimethoxy-4-quinazolinaminedihydrochloride molecular structure lightbox
CAS RN: 864289-85-0

2-[1,4′-Bipiperidin]-1′-yl-N-cycloheptyl-6,7-dimethoxy-4-quinazolinaminedihydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250227 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS864289-85-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

864289-85-0 / N-cycloheptyl-6,7-dimethoxy-2-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-4-amine

Standard CAS: 864289-85-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
864289-85-0
Multi CAS
Yes
Molecular Formula
C27H41N5O2
Molecular Weight
467.600000
Exact Mass
467.326026
InChI
InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
InChIKey
WYVBISCFCHREDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
10
Fraction Csp3
0.7
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
138.41
TPSA
62.75

LogP / Solubility

WLOGP
5.24
MLOGP
4.64
XLogP3
6
Consensus LogP
5.29
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.85

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us