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CAS 935293-70-2 (4->2)-Abeo-16-hydroxycleroda-2,13-dien-15,16-olide-3-al molecular structure lightbox
CAS RN: 935293-70-2

(4->2)-Abeo-16-hydroxycleroda-2,13-dien-15,16-olide-3-al

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250803 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS935293-70-2
  • Purity/Analytical Methods: >99.0%
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935293-70-2 / 7-[2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-3,3a,6,7-tetramethyl-4,5,6,7a-tetrahydro-1H-indene-2-carbaldehyde

Standard CAS: 935293-70-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
935293-70-2
Multi CAS
Yes
Molecular Formula
C20H28O4
Molecular Weight
332.400000
Exact Mass
332.198759
InChI
InChI=1S/C20H28O4/c1-12-5-7-20(4)13(2)15(11-21)9-16(20)19(12,3)8-6-14-10-17(22)24-18(14)23/h10-12,16,18,23H,5-9H2,1-4H3/t12-,16-,18?,19+,20+/m1/s1
InChIKey
NZIQEPLIKSMSRT-XLBPYVILSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.9
TPSA
63.6

LogP / Solubility

WLOGP
3.55
MLOGP
3.14
XLogP3
3.2
Consensus LogP
3.3
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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