[email protected]
CAS 1002801-51-5 4-Quinazolinamine, N-cyclohexyl-2-cyclopropyl- molecular structure lightbox
CAS RN: 1002801-51-5

4-Quinazolinamine, N-cyclohexyl-2-cyclopropyl-

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250104 25mg / 50mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250810 100mg In stock Shanghai Inquiry
Batchno.20260123 250mg In stock Shanghai Inquiry
Batchno.20260507 25mg Out of stock Inquiry
Batchno.20260103 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1002801-51-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1002801-51-5 / N-cyclohexyl-2-cyclopropylquinazolin-4-amine

TH10785 | N-cyclohexyl-2-cyclopropylquinazolin-4-amine | CHEMBL5429494

Standard CAS: 1002801-51-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1002801-51-5
Multi CAS
No
Molecular Formula
C17H21N3
Molecular Weight
267.370000
Exact Mass
267.173548
SMILES
C1CCC(CC1)NC2=NC(=NC3=CC=CC=C32)C4CC4
InChI
InChI=1S/C17H21N3/c1-2-6-13(7-3-1)18-17-14-8-4-5-9-15(14)19-16(20-17)12-10-11-12/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,19,20)
InChIKey
ZQMGQZOHIDOPCQ-UHFFFAOYSA-N
Synonyms
TH10785 N-cyclohexyl-2-cyclopropylquinazolin-4-amine CHEMBL5429494 orb1301207 GLXC-25987

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
82.01
TPSA
37.81

LogP / Solubility

WLOGP
4.25
MLOGP
3.75
XLogP3
4.2
Consensus LogP
4.07
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
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
No
Log Kp (skin permeation)
-1.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us