[email protected]
CAS 503837-98-7 Sortin1 molecular structure lightbox
CAS RN: 503837-98-7

Sortin1

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250801 2mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS503837-98-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

503837-98-7 / 4-[5-(3-methoxycarbonyl-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridin-4-yl)furan-2-yl]benzoic acid

Standard CAS: 503837-98-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
503837-98-7
Multi CAS
No
Molecular Formula
C26H19NO6
Molecular Weight
441.400000
Exact Mass
441.121237
InChI
InChI=1S/C26H19NO6/c1-13-20(26(31)32-2)21(22-23(27-13)16-5-3-4-6-17(16)24(22)28)19-12-11-18(33-19)14-7-9-15(10-8-14)25(29)30/h3-12,21,27H,1-2H3,(H,29,30)
InChIKey
QKEXVHYWWUXESV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
17
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
119.39
TPSA
105.84

LogP / Solubility

WLOGP
4.39
MLOGP
3.89
XLogP3
3.8
Consensus LogP
4.03
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.65
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us