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CAS 659738-08-6 Micraic acid A molecular structure lightbox
CAS RN: 659738-08-6

Micraic acid A

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251126 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS659738-08-6
  • Purity/Analytical Methods: >99.0%
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659738-08-6 / 3-[(3aS,6S,7S,9aS,9bS)-3a,6,9b-trimethyl-3-oxo-7-prop-1-en-2-yl-2,4,7,8,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid

Standard CAS: 659738-08-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
659738-08-6
Multi CAS
Yes
Molecular Formula
C22H32O3
Molecular Weight
344.500000
Exact Mass
344.235145
InChI
InChI=1S/C22H32O3/c1-14(2)15-6-7-17-16(20(15,3)11-10-19(24)25)8-12-22(5)18(23)9-13-21(17,22)4/h8,15,17H,1,6-7,9-13H2,2-5H3,(H,24,25)/t15-,17+,20-,21-,22+/m0/s1
InChIKey
JSVFSMMYZKBYGK-JVRYAFQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.73
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
99.16
TPSA
54.37

LogP / Solubility

WLOGP
5.17
MLOGP
4.56
XLogP3
4.4
Consensus LogP
4.71
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.67
Class (SILICOS-IT)
Insoluble

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)
-1.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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