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CAS 286385-47-5 3,3′,5,5′-tetraformyl-4,4′-biphenyldiol molecular structure lightbox
CAS RN: 286385-47-5

3,3′,5,5′-tetraformyl-4,4′-biphenyldiol

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260502 100mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250221 1g In stock Shanghai Inquiry
Batchno.20250307 250mg In stock Shanghai Inquiry
  • Product code: LINT887574
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286385-47-5 / 5-(3,5-diformyl-4-hydroxyphenyl)-2-hydroxybenzene-1,3-dicarbaldehyde

Standard CAS: 286385-47-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
286385-47-5
Multi CAS
No
Molecular Formula
C16H10O6
Molecular Weight
298.250000
Exact Mass
298.047738
InChI
InChI=1S/C16H10O6/c17-5-11-1-9(2-12(6-18)15(11)21)10-3-13(7-19)16(22)14(4-10)8-20/h1-8,21-22H
InChIKey
WEVNYHQPOMEBEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
76.76
TPSA
108.74

LogP / Solubility

WLOGP
2.01
MLOGP
1.78
XLogP3
1.8
Consensus LogP
1.86
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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