[email protected]
CAS 204133-20-0 2-{[2-(tert-butoxy)-2-oxoethyl]sulfanyl}acetic Acid molecular structure lightbox
CAS RN: 204133-20-0

2-{[2-(tert-butoxy)-2-oxoethyl]sulfanyl}acetic Acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250222 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS204133-20-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

204133-20-0 / 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylacetic acid

Standard CAS: 204133-20-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204133-20-0
Multi CAS
No
Molecular Formula
C8H14O4S
Molecular Weight
206.260000
Exact Mass
206.061280
SMILES
CC(C)(C)OC(=O)CSCC(=O)O
InChI
InChI=1S/C8H14O4S/c1-8(2,3)12-7(11)5-13-4-6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKey
JFRXJAPGLVVIBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.81
TPSA
63.6

LogP / Solubility

WLOGP
1.15
MLOGP
1.01
XLogP3
1.4
Consensus LogP
1.19
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately 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)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us