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CAS 91485-02-8 3,4,8,9,10-Pentahydroxy Urolithin molecular structure lightbox
CAS RN: 91485-02-8

3,4,8,9,10-Pentahydroxy Urolithin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260203 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS91485-02-8
  • Purity/Analytical Methods: >99.0%
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91485-02-8 / 3,4,8,9,10-pentahydroxybenzo[c]chromen-6-one

Standard CAS: 91485-02-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91485-02-8
Multi CAS
Yes
Molecular Formula
C13H8O7
Molecular Weight
276.200000
Exact Mass
276.027003
InChI
InChI=1S/C13H8O7/c14-6-2-1-4-8-5(3-7(15)9(16)11(8)18)13(19)20-12(4)10(6)17/h1-3,14-18H
InChIKey
ZELMDXUEWHBWPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
14
H-bond acceptors
7
H-bond donors
5
Molar refractivity
68.31
TPSA
131.36

LogP / Solubility

WLOGP
1.47
MLOGP
1.31
XLogP3
1.3
Consensus LogP
1.36
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
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)
-3.36

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
Yes
Synthetic Accessibility
1.5

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