CAS RN: 1877285-47-6
4-(10-phenylanthracen-9-yl)benzoic acid
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260312 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1877285-47-6
- Purity/Analytical Methods: >99.0%
1877285-47-6 / 4-(10-phenylanthracen-9-yl)benzoic acid
Basic Information
CAS
1877285-47-6
Multi CAS
No
Molecular Formula
C27H18O2
Molecular Weight
374.400000
Exact Mass
374.130680
SMILES
C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C27H18O2/c28-27(29)20-16-14-19(15-17-20)26-23-12-6-4-10-21(23)25(18-8-2-1-3-9-18)22-11-5-7-13-24(22)26/h1-17H,(H,28,29)
InChIKey
GYWYGAAGSPXWCK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
26
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
119.29
TPSA
37.3
LogP / Solubility
WLOGP
7.03
MLOGP
6.2
XLogP3
7.2
Consensus LogP
6.81
Log S (ESOL)
-7.05
Class (ESOL)
Insoluble
Log S (Ali)
-7.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.28
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)
-0.02
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
3.5
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