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CAS 415724-84-4 Poricoic acid G molecular structure lightbox
CAS RN: 415724-84-4

Poricoic acid G

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260124 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS415724-84-4
  • Purity/Analytical Methods: >99.0%
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415724-84-4 / (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid

Standard CAS: 415724-84-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
415724-84-4
Multi CAS
Yes
Molecular Formula
C30H46O5
Molecular Weight
486.700000
Exact Mass
486.334525
InChI
InChI=1S/C30H46O5/c1-18(2)9-8-10-20(27(34)35)26-24(31)17-30(7)23-12-11-21(19(3)4)28(5,15-14-25(32)33)22(23)13-16-29(26,30)6/h9,20-21,24,26,31H,3,8,10-17H2,1-2,4-7H3,(H,32,33)(H,34,35)/t20-,21+,24-,26+,28+,29-,30+/m1/s1
InChIKey
VPTZOSBKEDUOFE-KXGBKNTBSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.73
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
3
Molar refractivity
138.89
TPSA
94.83

LogP / Solubility

WLOGP
6.77
MLOGP
6
XLogP3
6.2
Consensus LogP
6.32
Log S (ESOL)
-6.53
Class (ESOL)
Insoluble
Log S (Ali)
-8.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.53
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.88

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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