[email protected]
CAS 1112210-82-8 1,3-DibroMo-5-isopropoxybenzene molecular structure lightbox
CAS RN: 1112210-82-8

1,3-DibroMo-5-isopropoxybenzene

  • Product code: SSC-012068
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
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • 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 1112210-82-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 4 In Stock Shenzhen Inquiry
5g ≥97% 4 In Stock Hong Kong Inquiry

1112210-82-8 / 1,3-dibromo-5-propan-2-yloxybenzene

1,3-Dibromo-5-isopropoxybenzene | 3,5-Dibromoisopropoxybenzene | 1,3-dibromo-5-propan-2-yloxybenzene

Standard CAS: 1112210-82-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1112210-82-8
Multi CAS
No
Molecular Formula
C9H10Br2O
Molecular Weight
293.980000
Exact Mass
293.907790
SMILES
CC(C)OC1=CC(=CC(=C1)Br)Br
InChI
InChI=1S/C9H10Br2O/c1-6(2)12-9-4-7(10)3-8(11)5-9/h3-6H,1-2H3
InChIKey
YEANGEKXRPNJTL-UHFFFAOYSA-N
Synonyms
1,3-Dibromo-5-isopropoxybenzene 3,5-Dibromoisopropoxybenzene 1,3-dibromo-5-propan-2-yloxybenzene MFCD12547881 1,3-dibromo-5-isopropoxy-benzene

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
57.61
TPSA
9.23

LogP / Solubility

WLOGP
4
MLOGP
3.53
XLogP3
4.1
Consensus LogP
3.88
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P316, P321, P330, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us