[email protected]
CAS 518051-96-2 2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-amine molecular structure lightbox
CAS RN: 518051-96-2

2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-amine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260617 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS518051-96-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

518051-96-2 / 2,3,4,5-tetrahydro-1H-1-benzazepin-8-amine

Standard CAS: 518051-96-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
518051-96-2
Multi CAS
No
Molecular Formula
C10H14N2
Molecular Weight
162.230000
Exact Mass
162.115698
InChI
InChI=1S/C10H14N2/c11-9-5-4-8-3-1-2-6-12-10(8)7-9/h4-5,7,12H,1-3,6,11H2
InChIKey
KNIPUMXQKNWUSP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.28
TPSA
38.05

LogP / Solubility

WLOGP
2.02
MLOGP
1.77
XLogP3
2
Consensus LogP
1.93
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us