CAS RN: 1187160-18-4
7-METHOXY-2,3-DIHYDRO-1H-INDEN-1-AMINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260407 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1187160-18-4
- Purity/Analytical Methods: >99.0%
1187160-18-4 / 7-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
7-Methoxy-2,3-dihydro-1H-inden-1-amine hydrochloride | MFCD25562962 | 7-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
Basic Information
CAS
1187160-18-4
Multi CAS
Yes
Molecular Formula
C10H14ClNO
Molecular Weight
199.680000
Exact Mass
199.076392
SMILES
COC1=CC=CC2=C1C(CC2)N.Cl
InChI
InChI=1S/C10H13NO.ClH/c1-12-9-4-2-3-7-5-6-8(11)10(7)9;/h2-4,8H,5-6,11H2,1H3;1H
InChIKey
VNKNIFXVDLMUFO-UHFFFAOYSA-N
Synonyms
7-Methoxy-2,3-dihydro-1H-inden-1-amine hydrochloride
MFCD25562962
7-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
7-Methoxy-2,3-dihydro-1H-inden-1-amine HCl
SCHEMBL659578
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
1
Molar refractivity
55.49
TPSA
35.25
LogP / Solubility
WLOGP
2.06
MLOGP
1.82
XLogP3
2.06
Consensus LogP
1.98
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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