[email protected]
CAS 885954-16-5 3-AMINO-1-BOC-1,2,3,4-TETRAHYDROQUINOLINE molecular structure lightbox
CAS RN: 885954-16-5

3-AMINO-1-BOC-1,2,3,4-TETRAHYDROQUINOLINE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250611 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS885954-16-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

885954-16-5 / tert-butyl 3-amino-3,4-dihydro-2H-quinoline-1-carboxylate

Standard CAS: 885954-16-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885954-16-5
Multi CAS
No
Molecular Formula
C14H20N2O2
Molecular Weight
248.320000
Exact Mass
248.152478
InChI
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-9-11(15)8-10-6-4-5-7-12(10)16/h4-7,11H,8-9,15H2,1-3H3
InChIKey
MVZZYBHLXOUNIT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.7
TPSA
55.56

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
1.8
Consensus LogP
2.05
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us