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CAS 308821-59-2 Kauran-18-olc acid,16,1719-tnhydroxy-,(4a) molecular structure lightbox
CAS RN: 308821-59-2

Kauran-18-olc acid,16,1719-tnhydroxy-,(4a)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250103 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS308821-59-2
  • Purity/Analytical Methods: >99.0%
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308821-59-2 / 14-hydroxy-5,14-bis(hydroxymethyl)-9-methyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

Standard CAS: 308821-59-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
308821-59-2
Multi CAS
Yes
Molecular Formula
C20H32O5
Molecular Weight
352.500000
Exact Mass
352.224974
InChI
InChI=1S/C20H32O5/c1-17-6-2-7-19(11-21,16(23)24)15(17)5-8-18-9-13(3-4-14(17)18)20(25,10-18)12-22/h13-15,21-22,25H,2-12H2,1H3,(H,23,24)/t13-,14+,15+,17+,18+,19+,20+/m1/s1
InChIKey
DWSHSMIESAAXBC-XSQBMUMNSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.95
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
91.75
TPSA
97.99

LogP / Solubility

WLOGP
2.18
MLOGP
1.94
XLogP3
2.2
Consensus LogP
2.11
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9.5

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