[email protected]
CAS 89291-75-8 (3aR,6aR)-6-(benzyloxyMethyl)-2,2-diMethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one molecular structure lightbox
CAS RN: 89291-75-8

(3aR,6aR)-6-(benzyloxyMethyl)-2,2-diMethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251116 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS89291-75-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

89291-75-8 / 2,2-dimethyl-6-(phenylmethoxymethyl)-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one

Standard CAS: 89291-75-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89291-75-8
Multi CAS
Yes
Molecular Formula
C16H18O4
Molecular Weight
274.310000
Exact Mass
274.120509
InChI
InChI=1S/C16H18O4/c1-16(2)19-14-12(8-13(17)15(14)20-16)10-18-9-11-6-4-3-5-7-11/h3-8,14-15H,9-10H2,1-2H3/t14-,15+/m1/s1
InChIKey
IMMAKCSFQZGDHG-CABCVRRESA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
73.01
TPSA
44.76

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
1.1
Consensus LogP
1.77
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly 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)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us