Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
73572-12-0 / 1-naphthalen-1-ylnaphthalen-2-ol
Basic Information
CAS
73572-12-0
Multi CAS
No
Molecular Formula
C20H14O
Molecular Weight
270.300000
Exact Mass
270.104465
InChI
InChI=1S/C20H14O/c21-19-13-12-15-7-2-4-10-17(15)20(19)18-11-5-8-14-6-1-3-9-16(14)18/h1-13,21H
InChIKey
DVWQNBIUTWDZMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
20
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
88.55
TPSA
20.23
LogP / Solubility
WLOGP
5.37
MLOGP
4.73
XLogP3
5.7
Consensus LogP
5.27
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly 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)
-0.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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