[email protected]
CAS 60263-06-1 Ethyl (1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate molecular structure lightbox
CAS RN: 60263-06-1

Ethyl (1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260506 5mg Out of stock Inquiry
  • Product code: starshine_CAS60263-06-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

60263-06-1 / ethyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate

Standard CAS: 60263-06-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60263-06-1
Multi CAS
Yes
Molecular Formula
C10H12O4
Molecular Weight
196.200000
Exact Mass
196.073559
InChI
InChI=1S/C10H12O4/c1-2-14-9(12)7-10(13)5-3-8(11)4-6-10/h3-6,13H,2,7H2,1H3
InChIKey
PCTPJULDTWCNKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.49
TPSA
63.6

LogP / Solubility

WLOGP
0.37
MLOGP
0.32
XLogP3
0.6
Consensus LogP
0.43
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.66

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us