CAS RN: 1132943-67-9
1-(Aminomethyl)-5-bromo-2,3-dihydro-1H-inden-1-ol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250206 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1132943-67-9
- Purity/Analytical Methods: >99.0%
1132943-67-9 / 1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol
1-(aminomethyl)-5-bromo-2,3-dihydro-1h-inden-1-ol | MFCD31390981 | 1H-Inden-1-ol, 1-(aminomethyl)-5-bromo-2,3-dihydro-
Basic Information
CAS
1132943-67-9
Multi CAS
No
Molecular Formula
C10H12BrNO
Molecular Weight
242.110000
Exact Mass
241.010230
SMILES
C1CC(C2=C1C=C(C=C2)Br)(CN)O
InChI
InChI=1S/C10H12BrNO/c11-8-1-2-9-7(5-8)3-4-10(9,13)6-12/h1-2,5,13H,3-4,6,12H2
InChIKey
RZJKEXLZOYPNSM-UHFFFAOYSA-N
Synonyms
1-(aminomethyl)-5-bromo-2,3-dihydro-1h-inden-1-ol
MFCD31390981
1H-Inden-1-ol, 1-(aminomethyl)-5-bromo-2,3-dihydro-
1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol
SCHEMBL1530526
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.41
TPSA
46.25
LogP / Solubility
WLOGP
1.54
MLOGP
1.36
XLogP3
1
Consensus LogP
1.3
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately 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)
-3.1
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)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
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