CAS RN: 2408958-29-0
4-BROMO-7-METHOXY-2,3-DIHYDRO-1H-INDEN-1-AMINE HCl
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.20251019 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2408958-29-0
- Purity/Analytical Methods: >99.0%
2408958-29-0 / 4-bromo-7-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
Basic Information
CAS
2408958-29-0
Multi CAS
No
Molecular Formula
C10H13BrClNO
Molecular Weight
278.570000
Exact Mass
276.986900
SMILES
COC1=C2C(CCC2=C(C=C1)Br)N.Cl
InChI
InChI=1S/C10H12BrNO.ClH/c1-13-9-5-3-7(11)6-2-4-8(12)10(6)9;/h3,5,8H,2,4,12H2,1H3;1H
InChIKey
OMPPNPXIIPEAQC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.19
TPSA
35.25
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
2.83
Consensus LogP
2.72
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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