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CAS 59901-98-3 6H,9H-5,8,10,12-Tetraoxabenzo[a]cyclopenta[h]fluorene-3-ol molecular structure lightbox
CAS RN: 59901-98-3

6H,9H-5,8,10,12-Tetraoxabenzo[a]cyclopenta[h]fluorene-3-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260212 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS59901-98-3
  • Purity/Analytical Methods: >99.0%
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59901-98-3 / 5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-16-ol

Standard CAS: 59901-98-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59901-98-3
Multi CAS
Yes
Molecular Formula
C16H10O5
Molecular Weight
282.250000
Exact Mass
282.052823
InChI
InChI=1S/C16H10O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,17H,6-7H2
InChIKey
XCDMHEXDCIXKLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.12
H-bond acceptors
5
H-bond donors
1
Molar refractivity
73.77
TPSA
61.06

LogP / Solubility

WLOGP
3.43
MLOGP
3.03
XLogP3
3
Consensus LogP
3.15
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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