[email protected]
CAS 593274-97-6 Integrin Antagonists 27 molecular structure lightbox
CAS RN: 593274-97-6

Integrin Antagonists 27

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251206 2mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS593274-97-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

593274-97-6 / 3-[2-[[1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid

Standard CAS: 593274-97-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
593274-97-6
Multi CAS
Yes
Molecular Formula
C24H20N4O5
Molecular Weight
444.400000
Exact Mass
444.143370
InChI
InChI=1S/C24H20N4O5/c1-15-7-9-17(10-8-15)25-21(29)14-28-22(30)20(26-24(28)33)13-19-6-3-11-27(19)18-5-2-4-16(12-18)23(31)32/h2-13H,14H2,1H3,(H,25,29)(H,26,33)(H,31,32)/b20-13-
InChIKey
BJCKKLXERBMNHP-MOSHPQCFSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
17
Fraction Csp3
0.08
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
120.76
TPSA
120.74

LogP / Solubility

WLOGP
3.02
MLOGP
2.68
XLogP3
2.5
Consensus LogP
2.73
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.29

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
3

Customers Also Viewed

Get In Touch

Contact Us