[email protected]
CAS 385367-47-5 Tarafenacin molecular structure lightbox
CAS RN: 385367-47-5

Tarafenacin

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260603 10mg / 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS385367-47-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

385367-47-5 / 1-azabicyclo[2.2.2]octan-3-yl N-(3-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]carbamate

Standard CAS: 385367-47-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
385367-47-5
Multi CAS
Yes
Molecular Formula
C21F4H20N2O2
Molecular Weight
408.400000
Exact Mass
408.146091
InChI
InChI=1S/C21H20F4N2O2/c22-15-2-1-3-16(10-15)27(11-13-8-17(23)20(25)18(24)9-13)21(28)29-19-12-26-6-4-14(19)5-7-26/h1-3,8-10,14,19H,4-7,11-12H2/t19-/m0/s1
InChIKey
UXZDMXYRRQJIBJ-IBGZPJMESA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
98.33
TPSA
32.78

LogP / Solubility

WLOGP
4.48
MLOGP
3.97
XLogP3
4.2
Consensus LogP
4.22
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.51
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.03

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
6

Customers Also Viewed

Get In Touch

Contact Us