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CAS 1416354-44-3 7-Methyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-aMine dihydrochloride molecular structure lightbox
CAS RN: 1416354-44-3

7-Methyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-aMine dihydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250922 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1416354-44-3
  • Purity/Analytical Methods: >99.0%
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1416354-44-3 / 7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine;dihydrochloride

Standard CAS: 1416354-44-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416354-44-3
Multi CAS
No
Molecular Formula
C11H18Cl2N2
Molecular Weight
249.180000
Exact Mass
248.084704
SMILES
CC1=CC2=C(C=C1)NCCCC2N.Cl.Cl
InChI
InChI=1S/C11H16N2.2ClH/c1-8-4-5-11-9(7-8)10(12)3-2-6-13-11;;/h4-5,7,10,13H,2-3,6,12H2,1H3;2*1H
InChIKey
WYGJNKWTADLARI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.33
TPSA
38.05

LogP / Solubility

WLOGP
3.04
MLOGP
2.68
XLogP3
3.04
Consensus LogP
2.92
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.08

Drug-likeness / Medicinal Chemistry

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

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