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CAS 202522-40-5 13-O-Ethylpiptocarphol molecular structure lightbox
CAS RN: 202522-40-5

13-O-Ethylpiptocarphol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260209 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS202522-40-5
  • Purity/Analytical Methods: >99.0%
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202522-40-5 / (1R,2E,8S,10R,11S)-6-(ethoxymethyl)-8,10,11-trihydroxy-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-5-one

Standard CAS: 202522-40-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
202522-40-5
Multi CAS
No
Molecular Formula
C17H24O7
Molecular Weight
340.400000
Exact Mass
340.152203
SMILES
CCOCC1=C/2[C@H](C[C@@]([C@@]3(CC[C@@](O3)(/C=C2/OC1=O)C)O)(C)O)O
InChI
InChI=1S/C17H24O7/c1-4-22-9-10-13-11(18)7-16(3,20)17(21)6-5-15(2,24-17)8-12(13)23-14(10)19/h8,11,18,20-21H,4-7,9H2,1-3H3/b12-8+/t11-,15+,16+,17-/m0/s1
InChIKey
NQJAGJJBDQOCPP-WYMINXBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
3
Molar refractivity
82.62
TPSA
105.45

LogP / Solubility

WLOGP
0.53
MLOGP
0.49
XLogP3
-1.1
Consensus LogP
-0.03
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately 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)
-4.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
8

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