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CAS 350681-33-3 2,4,8,9-Tetrahydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one molecular structure lightbox
CAS RN: 350681-33-3

2,4,8,9-Tetrahydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250302 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS350681-33-3
  • Purity/Analytical Methods: >99.0%
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350681-33-3 / 2,4,8,9-tetrahydroxy-[1]benzofuro[3,2-c]chromen-6-one

Standard CAS: 350681-33-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
350681-33-3
Multi CAS
No
Molecular Formula
C15H8O7
Molecular Weight
300.220000
Exact Mass
300.027003
InChI
InChI=1S/C15H8O7/c16-5-1-7-13(10(19)2-5)22-15(20)12-6-3-8(17)9(18)4-11(6)21-14(7)12/h1-4,16-19H
InChIKey
OBEHELRBTWMPHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
17
H-bond acceptors
7
H-bond donors
4
Molar refractivity
76.42
TPSA
124.27

LogP / Solubility

WLOGP
2.51
MLOGP
2.23
XLogP3
2.1
Consensus LogP
2.28
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

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
3

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