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CAS 6948-88-5 ALPHA-NAPHTHOLBENZEIN molecular structure lightbox
CAS RN: 6948-88-5

ALPHA-NAPHTHOLBENZEIN

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260220 100ml In stock Shanghai, Shandong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260328 1g / 5g / 50g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: starshine_CAS6948-88-5
  • Purity/Analytical Methods: >99.0%
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6948-88-5 / 4-[hydroxy-(4-hydroxynaphthalen-1-yl)-phenylmethyl]naphthalen-1-ol

Standard CAS: 6948-88-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6948-88-5
Multi CAS
Yes
Molecular Formula
C27H20O3
Molecular Weight
392.400000
Exact Mass
392.141245
InChI
InChI=1S/C27H20O3/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(30,18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28-30H
InChIKey
OUYLDJXFDLBCTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
26
Fraction Csp3
0.04
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
119.77
TPSA
60.69

LogP / Solubility

WLOGP
5.69
MLOGP
5.03
XLogP3
6
Consensus LogP
5.57
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-6.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.29
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)
-1.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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