[email protected]
CAS 131086-98-1 Urolithin D molecular structure lightbox
CAS RN: 131086-98-1

Urolithin D

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251109 100mg In stock Shanghai Inquiry
Batchno.20250423 10mg In stock Shanghai Inquiry
Batchno.20250614 250mg Out of stock Inquiry
Batchno.20250626 25mg In stock Shanghai Inquiry
Batchno.20250201 50mg In stock Shanghai Inquiry
Batchno.20250220 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS131086-98-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

131086-98-1 / 3,4,8,9-tetrahydroxybenzo[c]chromen-6-one

Standard CAS: 131086-98-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
131086-98-1
Multi CAS
No
Molecular Formula
C13H8O6
Molecular Weight
260.200000
Exact Mass
260.032088
SMILES
C1=CC(=C(C2=C1C3=CC(=C(C=C3C(=O)O2)O)O)O)O
InChI
InChI=1S/C13H8O6/c14-8-2-1-5-6-3-9(15)10(16)4-7(6)13(18)19-12(5)11(8)17/h1-4,14-17H
InChIKey
NEZDQSKPNPRYAW-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
14
H-bond acceptors
6
H-bond donors
4
Molar refractivity
66.65
TPSA
111.13

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1.6
Consensus LogP
1.64
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us