[email protected]
CAS 1427475-32-8 3-(Boc-amino)-4-bromo-6-chloropyridazine molecular structure lightbox
CAS RN: 1427475-32-8

3-(Boc-amino)-4-bromo-6-chloropyridazine

  • Product code: SSC-053944
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: 1g, 0.1g, 0.25g, 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 1427475-32-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Shenzhen Inquiry
0.1g ≥95% 3 In Stock Hong Kong Inquiry
0.25g ≥95% 3 In Stock Beijing Inquiry
5g ≥95% 3 In Stock Hong Kong Inquiry

1427475-32-8 / tert-butyl N-(4-bromo-6-chloropyridazin-3-yl)carbamate

Standard CAS: 1427475-32-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427475-32-8
Multi CAS
No
Molecular Formula
C9H11BrClN3O2
Molecular Weight
308.560000
Exact Mass
306.972320
SMILES
CC(C)(C)OC(=O)NC1=NN=C(C=C1Br)Cl
InChI
InChI=1S/C9H11BrClN3O2/c1-9(2,3)16-8(15)12-7-5(10)4-6(11)13-14-7/h4H,1-3H3,(H,12,14,15)
InChIKey
OSDWBQHBOHWBLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.6
TPSA
64.11

LogP / Solubility

WLOGP
3.24
MLOGP
2.86
XLogP3
2.4
Consensus LogP
2.83
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us