[email protected]
CAS 497076-92-3 3-Thiazolidineacetic acid, -alpha–methyl-2,4-dioxo- molecular structure lightbox
CAS RN: 497076-92-3

3-Thiazolidineacetic acid, -alpha–methyl-2,4-dioxo-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260215 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS497076-92-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

497076-92-3 / 2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoic acid

Standard CAS: 497076-92-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
497076-92-3
Multi CAS
No
Molecular Formula
C6H7NO4S
Molecular Weight
189.190000
Exact Mass
189.009579
InChI
InChI=1S/C6H7NO4S/c1-3(5(9)10)7-4(8)2-12-6(7)11/h3H,2H2,1H3,(H,9,10)
InChIKey
KQBJNKYGGJWSCE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.8
TPSA
74.68

LogP / Solubility

WLOGP
0.15
MLOGP
0.14
XLogP3
0.2
Consensus LogP
0.16
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
Class (SILICOS-IT)
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)
-3.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us