[email protected]
CAS 1541209-75-9 SBFI-26 molecular structure lightbox
CAS RN: 1541209-75-9

SBFI-26

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260311 5mg Out of stock Inquiry
  • Product code: starshine_CAS1541209-75-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1541209-75-9 / sodium 3-naphthalen-1-yloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate

Standard CAS: 1541209-75-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1541209-75-9
Multi CAS
No
Molecular Formula
C28H21NaO4
Molecular Weight
444.500000
Exact Mass
444.133753
SMILES
C1=CC=C(C=C1)C2C(C(C2C(=O)OC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5)C(=O)[O-].[Na+]
InChI
InChI=1S/C28H22O4.Na/c29-27(30)25-23(19-11-3-1-4-12-19)26(24(25)20-13-5-2-6-14-20)28(31)32-22-17-9-15-18-10-7-8-16-21(18)22;/h1-17,23-26H,(H,29,30);/q;+1/p-1
InChIKey
FNDYRXBMOVWBAD-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
22
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
119.94
TPSA
66.43

LogP / Solubility

WLOGP
1.31
MLOGP
1.18
XLogP3
1.31
Consensus LogP
1.27
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly 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)
-4.5

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
4.5

Customers Also Viewed

Get In Touch

Contact Us