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CAS 65408-91-5 Altholactone molecular structure lightbox
CAS RN: 65408-91-5

Altholactone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250518 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS65408-91-5
  • Purity/Analytical Methods: >99.0%
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65408-91-5 / 3-hydroxy-2-phenyl-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-5-one

Standard CAS: 65408-91-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65408-91-5
Multi CAS
Yes
Molecular Formula
C13H12O4
Molecular Weight
232.230000
Exact Mass
232.073559
InChI
InChI=1S/C13H12O4/c14-10-7-6-9-13(17-10)11(15)12(16-9)8-4-2-1-3-5-8/h1-7,9,11-13,15H/t9-,11+,12+,13+/m0/s1
InChIKey
ZKIRVBNLJKGIEM-WKSBVSIWSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.08
TPSA
55.76

LogP / Solubility

WLOGP
0.97
MLOGP
0.86
XLogP3
0.9
Consensus LogP
0.91
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately 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)
-3.45

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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