[email protected]
CAS 68832-39-3 4-Epi-isoinuviscolide molecular structure lightbox
CAS RN: 68832-39-3

4-Epi-isoinuviscolide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260221 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS68832-39-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

68832-39-3 / 8-hydroxy-5,8-dimethyl-1-methylidene-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one

Standard CAS: 68832-39-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
68832-39-3
Multi CAS
Yes
Molecular Formula
C15H20O3
Molecular Weight
248.320000
Exact Mass
248.141245
InChI
InChI=1S/C15H20O3/c1-8-6-13-11(9(2)14(16)18-13)7-12-10(8)4-5-15(12,3)17/h6,10-13,17H,2,4-5,7H2,1,3H3/t10-,11+,12+,13-,15-/m0/s1
InChIKey
APMKESKZWHNIDJ-PFFFPCNUSA-N

Physical Properties

Melting Point
147 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.67
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.72
TPSA
46.53

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
1.6
Consensus LogP
1.92
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.11
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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us