[email protected]
CAS 926927-42-6 Ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate molecular structure lightbox
CAS RN: 926927-42-6

Ethyl 2-amino-8-(perfluoroethyl)-3H-benzo[b]azepine-4-carboxylate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260528 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS926927-42-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

926927-42-6 / ethyl 2-amino-8-(1,1,2,2,2-pentafluoroethyl)-3H-1-benzazepine-4-carboxylate

Standard CAS: 926927-42-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
926927-42-6
Multi CAS
No
Molecular Formula
C15F5H13N2O2
Molecular Weight
348.270000
Exact Mass
348.089718
InChI
InChI=1S/C15H13F5N2O2/c1-2-24-13(23)9-5-8-3-4-10(14(16,17)15(18,19)20)7-11(8)22-12(21)6-9/h3-5,7H,2,6H2,1H3,(H2,21,22)
InChIKey
ICZPANLPYRTVSF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
76.9
TPSA
64.68

LogP / Solubility

WLOGP
3.68
MLOGP
3.26
XLogP3
2.7
Consensus LogP
3.21
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us