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CAS 58142-10-2 (2R)-1,2,3,4,6,7,8,8a-Octahydro-8α,8aα-dimethyl-α-methylene-6-oxo-2-naphthaleneacetic acid molecular structure lightbox
CAS RN: 58142-10-2

(2R)-1,2,3,4,6,7,8,8a-Octahydro-8α,8aα-dimethyl-α-methylene-6-oxo-2-naphthaleneacetic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251215 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS58142-10-2
  • Purity/Analytical Methods: >99.0%
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58142-10-2 / 2-(8,8a-dimethyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-2-yl)prop-2-enoic acid

Standard CAS: 58142-10-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58142-10-2
Multi CAS
Yes
Molecular Formula
C15H20O3
Molecular Weight
248.320000
Exact Mass
248.141245
InChI
InChI=1S/C15H20O3/c1-9-6-13(16)7-12-5-4-11(8-15(9,12)3)10(2)14(17)18/h7,9,11H,2,4-6,8H2,1,3H3,(H,17,18)/t9-,11+,15+/m0/s1
InChIKey
GAWKUNMREBFQOL-ZVWUFJHRSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.09
TPSA
54.37

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
2.6
Consensus LogP
2.73
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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)
-2.13

Drug-likeness / Medicinal Chemistry

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

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