[email protected]
CAS 81090-45-1 2,4-Dibromo-6-isopropylaniline molecular structure lightbox
CAS RN: 81090-45-1

2,4-Dibromo-6-isopropylaniline

  • Product code: SSC-189648
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, 5g, 10g, 25g
  • 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 81090-45-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry
10g >95% 1 In Stock Shenzhen Inquiry
25g >95% 1 In Stock Beijing Inquiry

81090-45-1 / 2,4-dibromo-6-propan-2-ylaniline

Standard CAS: 81090-45-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81090-45-1
Multi CAS
No
Molecular Formula
C9H11BR2N
Molecular Weight
293.000000
Exact Mass
292.923780
InChI
InChI=1S/C9H11Br2N/c1-5(2)7-3-6(10)4-8(11)9(7)12/h3-5H,12H2,1-2H3
InChIKey
OKIHDLUSXGDARZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.34
TPSA
26.02

LogP / Solubility

WLOGP
3.92
MLOGP
3.46
XLogP3
3.7
Consensus LogP
3.69
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us