[email protected]
CAS 1836-05-1 1-(3-BROMO-2-HYDROXYPHENYL)ETHANONE molecular structure lightbox
CAS RN: 1836-05-1

1-(3-BROMO-2-HYDROXYPHENYL)ETHANONE

  • Product code: SSC-084925
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, 0.25g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 1836-05-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 4 In Stock Shanghai Inquiry
10g >97% 2 In Stock Shanghai Inquiry
25g >97% 2 In Stock Hong Kong Inquiry
100g >97% 2 In Stock Shanghai Inquiry

1836-05-1 / 1-(3-bromo-2-hydroxyphenyl)ethanone

Standard CAS: 1836-05-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1836-05-1
Multi CAS
No
Molecular Formula
C8H7BrO2
Molecular Weight
215.040000
Exact Mass
213.962940
SMILES
CC(=O)C1=C(C(=CC=C1)Br)O
InChI
InChI=1S/C8H7BrO2/c1-5(10)6-3-2-4-7(9)8(6)11/h2-4,11H,1H3
InChIKey
XPYYOCANFXTCKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.81
TPSA
37.3

LogP / Solubility

WLOGP
2.36
MLOGP
2.08
XLogP3
2.5
Consensus LogP
2.31
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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)
-2.36

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us