CAS RN: 1810074-69-1
(R)-8-Bromochroman-4-amine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260403 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1810074-69-1
- Purity/Analytical Methods: >99.0%
1810074-69-1 / (4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
Basic Information
CAS
1810074-69-1
Multi CAS
No
Molecular Formula
C9H11BrClNO
Molecular Weight
264.540000
Exact Mass
262.971250
SMILES
C1COC2=C([C@@H]1N)C=CC=C2Br.Cl
InChI
InChI=1S/C9H10BrNO.ClH/c10-7-3-1-2-6-8(11)4-5-12-9(6)7;/h1-3,8H,4-5,11H2;1H/t8-;/m1./s1
InChIKey
GQVQWQSPIBHZSG-DDWIOCJRSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.43
TPSA
35.25
LogP / Solubility
WLOGP
2.65
MLOGP
2.34
XLogP3
2.65
Consensus LogP
2.55
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
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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