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CAS 37905-07-0 jolkinolide A molecular structure lightbox
CAS RN: 37905-07-0

jolkinolide A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251119 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS37905-07-0
  • Purity/Analytical Methods: >99.0%
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37905-07-0 / (1S,3R,10S,11R,16R)-5,11,15,15-tetramethyl-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadeca-4,8-dien-6-one

Standard CAS: 37905-07-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37905-07-0
Multi CAS
Yes
Molecular Formula
C20H26O3
Molecular Weight
314.400000
Exact Mass
314.188195
InChI
InChI=1S/C20H26O3/c1-11-15-12(22-17(11)21)10-14-19(4)8-5-7-18(2,3)13(19)6-9-20(14)16(15)23-20/h10,13-14,16H,5-9H2,1-4H3/t13-,14+,16-,19-,20+/m1/s1
InChIKey
OYXDHOVYZKWSRM-PHJMNMFVSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.75
H-bond acceptors
3
Molar refractivity
86.43
TPSA
38.83

LogP / Solubility

WLOGP
4.14
MLOGP
3.65
XLogP3
3.9
Consensus LogP
3.9
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7

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
7

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