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CAS 94529-97-2 20-Deoxocarnosol molecular structure lightbox
CAS RN: 94529-97-2

20-Deoxocarnosol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260413 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS94529-97-2
  • Purity/Analytical Methods: >99.0%
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94529-97-2 / 11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4-diol

Standard CAS: 94529-97-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
94529-97-2
Multi CAS
Yes
Molecular Formula
C20H28O3
Molecular Weight
316.400000
Exact Mass
316.203845
InChI
InChI=1S/C20H28O3/c1-11(2)12-8-13-14-9-15-19(3,4)6-5-7-20(15,10-23-14)16(13)18(22)17(12)21/h8,11,14-15,21-22H,5-7,9-10H2,1-4H3
InChIKey
XCVWKCGUFCXDHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
89.97
TPSA
49.69

LogP / Solubility

WLOGP
4.76
MLOGP
4.2
XLogP3
4.6
Consensus LogP
4.52
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble

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)
-1.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

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