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CAS 76267-48-6 7-Deoxy-10-hydroxyloganetin molecular structure lightbox
CAS RN: 76267-48-6

7-Deoxy-10-hydroxyloganetin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250815 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS76267-48-6
  • Purity/Analytical Methods: >99.0%
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76267-48-6 / methyl 1-hydroxy-7-(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Standard CAS: 76267-48-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76267-48-6
Multi CAS
Yes
Molecular Formula
C11H16O5
Molecular Weight
228.240000
Exact Mass
228.099774
InChI
InChI=1S/C11H16O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h5-7,9,11-12,14H,2-4H2,1H3/t6-,7-,9-,11-/m1/s1
InChIKey
OZPQFFMUTWSZAL-LUQPRHOASA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
53.98
TPSA
75.99

LogP / Solubility

WLOGP
0.03
MLOGP
0.03
XLogP3
0.1
Consensus LogP
0.05
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
Class (SILICOS-IT)
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)
-4.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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