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CAS 128724-35-6 5(6)-CARBOXYNAPHTHOFLUORESCEIN molecular structure lightbox
CAS RN: 128724-35-6

5(6)-CARBOXYNAPHTHOFLUORESCEIN

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260620 100mg In stock Shanghai Inquiry
Batchno.20250614 25mg In stock Shanghai, Hebei Inquiry
  • Product code: starshine_CAS128724-35-6
  • Purity/Analytical Methods: >99.0%
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128724-35-6 / 19-hydroxy-13-(3-methylphenyl)-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3,5,8,10,12,15,17(22),18,20-decaen-7-one

Standard CAS: 128724-35-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
128724-35-6
Multi CAS
No
Molecular Formula
C28H18O3
Molecular Weight
402.400000
Exact Mass
402.125594
SMILES
CC1=CC(=CC=C1)C2=C3C=CC4=CC(=O)C=CC4=C3OC5=C2C=CC6=C5C=CC(=C6)O
InChI
InChI=1S/C28H18O3/c1-16-3-2-4-19(13-16)26-24-9-5-17-14-20(29)7-11-22(17)27(24)31-28-23-12-8-21(30)15-18(23)6-10-25(26)28/h2-15,29H,1H3
InChIKey
SHYSWDIJAFDQED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
28
Fraction Csp3
0.04
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
126.84
TPSA
50.44

LogP / Solubility

WLOGP
6.93
MLOGP
6.13
XLogP3
4.9
Consensus LogP
5.99
Log S (ESOL)
-7.31
Class (ESOL)
Insoluble
Log S (Ali)
-7.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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