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CAS 2985-59-3 4-Dodecyloxy-2-hydroxybenzophenone molecular structure lightbox
CAS RN: 2985-59-3

4-Dodecyloxy-2-hydroxybenzophenone

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251229 100mg In stock Shanghai Inquiry
Batchno.20250405 1g In stock Shanghai Inquiry
Batchno.20260604 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS2985-59-3
  • Purity/Analytical Methods: >99.0%
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2985-59-3 / (4-dodecoxy-2-hydroxyphenyl)-phenylmethanone

Standard CAS: 2985-59-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2985-59-3
Multi CAS
No
Molecular Formula
C25H34O3
Molecular Weight
382.500000
Exact Mass
382.250795
InChI
InChI=1S/C25H34O3/c1-2-3-4-5-6-7-8-9-10-14-19-28-22-17-18-23(24(26)20-22)25(27)21-15-12-11-13-16-21/h11-13,15-18,20,26H,2-10,14,19H2,1H3
InChIKey
ARVUDIQYNJVQIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
115.32
TPSA
46.53

LogP / Solubility

WLOGP
6.92
MLOGP
6.11
XLogP3
9
Consensus LogP
7.34
Log S (ESOL)
-5.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.57
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)
-0.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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