[email protected]
CAS 53771-22-5 MEVALONIC-2-13C LACTONE molecular structure lightbox
CAS RN: 53771-22-5

MEVALONIC-2-13C LACTONE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250701 25mg In stock Shanghai Inquiry
  • Product code: starshine_CAS53771-22-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

53771-22-5 / 4-hydroxy-4-methyloxan-2-one

Standard CAS: 53771-22-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53771-22-5
Multi CAS
Yes
Molecular Formula
C6H10O3
Molecular Weight
130.140000
Exact Mass
130.062994
InChI
InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3/i4+1
InChIKey
JYVXNLLUYHCIIH-AZXPZELESA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.82
TPSA
46.53

LogP / Solubility

WLOGP
0.07
MLOGP
0.06
XLogP3
-0.3
Consensus LogP
-0.06
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.57
Class (SILICOS-IT)
Very 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)
-3.46

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us