[email protected]
CAS 1430839-89-6 4-Amino-1-Boc-7-bromo-3,4-dihydro-2H-quinoline hydrochloride molecular structure lightbox
CAS RN: 1430839-89-6

4-Amino-1-Boc-7-bromo-3,4-dihydro-2H-quinoline hydrochloride

  • Product code: SSC-054420
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1430839-89-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry

1430839-89-6 / tert-butyl 4-amino-7-bromo-3,4-dihydro-2H-quinoline-1-carboxylate;hydrochloride

Standard CAS: 1430839-89-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1430839-89-6
Multi CAS
No
Molecular Formula
C14H20BrClN2O2
Molecular Weight
363.680000
Exact Mass
362.039670
SMILES
CC(C)(C)OC(=O)N1CCC(C2=C1C=C(C=C2)Br)N.Cl
InChI
InChI=1S/C14H19BrN2O2.ClH/c1-14(2,3)19-13(18)17-7-6-11(16)10-5-4-9(15)8-12(10)17;/h4-5,8,11H,6-7,16H2,1-3H3;1H
InChIKey
MENASKOLVHVZKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
86.52
TPSA
55.56

LogP / Solubility

WLOGP
4.02
MLOGP
3.55
XLogP3
4.02
Consensus LogP
3.86
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.09

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