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CAS 917615-53-3 9-(Hydroxymethyl)-9H-fluorene-2,7-dicarboxylic acid molecular structure lightbox
CAS RN: 917615-53-3

9-(Hydroxymethyl)-9H-fluorene-2,7-dicarboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260108 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS917615-53-3
  • Purity/Analytical Methods: >99.0%
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917615-53-3 / 9-(hydroxymethyl)-9H-fluorene-2,7-dicarboxylic acid

Standard CAS: 917615-53-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
917615-53-3
Multi CAS
No
Molecular Formula
C16H12O5
Molecular Weight
284.260000
Exact Mass
284.068473
InChI
InChI=1S/C16H12O5/c17-7-14-12-5-8(15(18)19)1-3-10(12)11-4-2-9(16(20)21)6-13(11)14/h1-6,14,17H,7H2,(H,18,19)(H,20,21)
InChIKey
AVFXECNNRHGJSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
74.73
TPSA
94.83

LogP / Solubility

WLOGP
2.19
MLOGP
1.94
XLogP3
1.7
Consensus LogP
1.94
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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