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CAS 62393-88-8 (24Z)-3,4-Secolanosta-4(28),9(11),24-triene-3,26-dioic acid molecular structure lightbox
CAS RN: 62393-88-8

(24Z)-3,4-Secolanosta-4(28),9(11),24-triene-3,26-dioic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260407 5mg Out of stock Inquiry
  • Product code: starshine_CAS62393-88-8
  • Purity/Analytical Methods: >99.0%
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62393-88-8 / (6R)-6-[(3aR,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid

Standard CAS: 62393-88-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62393-88-8
Multi CAS
Yes
Molecular Formula
C30H46O4
Molecular Weight
470.700000
Exact Mass
470.339610
InChI
InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,14,20,22-23,25H,1,8-9,11-13,15-18H2,2-7H3,(H,31,32)(H,33,34)/t20-,22+,23?,25-,28+,29-,30+/m1/s1
InChIKey
JGNPDWQZTUZFHK-QATAWRKHSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.73
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
137.43
TPSA
74.6

LogP / Solubility

WLOGP
7.66
MLOGP
6.77
XLogP3
8
Consensus LogP
7.48
Log S (ESOL)
-6.99
Class (ESOL)
Insoluble
Log S (Ali)
-8.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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