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CAS 132185-84-3 5beta-Hydroxycostic acid molecular structure lightbox
CAS RN: 132185-84-3

5beta-Hydroxycostic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250827 1mg / 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS132185-84-3
  • Purity/Analytical Methods: >99.0%
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132185-84-3 / 2-[(2R,4aR,8aS)-8a-hydroxy-4a-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid

Standard CAS: 132185-84-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132185-84-3
Multi CAS
No
Molecular Formula
C15H22O3
Molecular Weight
250.330000
Exact Mass
250.156895
SMILES
C[C@]12CCCC(=C)[C@]1(C[C@@H](CC2)C(=C)C(=O)O)O
InChI
InChI=1S/C15H22O3/c1-10-5-4-7-14(3)8-6-12(9-15(10,14)18)11(2)13(16)17/h12,18H,1-2,4-9H2,3H3,(H,16,17)/t12-,14-,15+/m1/s1
InChIKey
UEQIFFFWXPAQCB-YUELXQCFSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.16
TPSA
57.53

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
2.5
Consensus LogP
2.65
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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