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CAS 1196049-18-9 7-BROMO-2,3-DIHYDRO-1H-INDEN-1-OL molecular structure lightbox
CAS RN: 1196049-18-9

7-BROMO-2,3-DIHYDRO-1H-INDEN-1-OL

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3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250302 100mg Out of stock Inquiry
Batchno.20250909 250mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250210 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1196049-18-9
  • Purity/Analytical Methods: >99.0%
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1196049-18-9 / 7-bromo-2,3-dihydro-1H-inden-1-ol

7-bromo-2,3-dihydro-1H-inden-1-ol | RefChem:310371 | 7-bromoindan-1-ol

Standard CAS: 1196049-18-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1196049-18-9
Multi CAS
No
Molecular Formula
C9H9BrO
Molecular Weight
213.070000
Exact Mass
211.983680
SMILES
C1CC2=C(C1O)C(=CC=C2)Br
InChI
InChI=1S/C9H9BrO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3,8,11H,4-5H2
InChIKey
BDANRHYZJFBCQQ-UHFFFAOYSA-N
Synonyms
7-bromo-2,3-dihydro-1H-inden-1-ol RefChem:310371 7-bromoindan-1-ol MFCD24843663 SCHEMBL12584160

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.42
TPSA
20.23

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
2.2
Consensus LogP
2.26
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
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)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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