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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
7260-11-9 / phenyl 3-hydroxynaphthalene-2-carboxylate
Basic Information
CAS
7260-11-9
Multi CAS
Yes
Molecular Formula
C17H12O3
Molecular Weight
264.270000
Exact Mass
264.078644
InChI
InChI=1S/C17H12O3/c18-16-11-13-7-5-4-6-12(13)10-15(16)17(19)20-14-8-2-1-3-9-14/h1-11,18H
InChIKey
SRMZHGJLSDITLO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.01
TPSA
46.53
LogP / Solubility
WLOGP
3.76
MLOGP
3.32
XLogP3
4.8
Consensus LogP
3.96
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
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)
-1.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
2-nitro-10H-acridin-9-one
- CAS RN: 7251-00-5
- Product Code: starshine_CAS7251-00-5
- Purity/Analytical method: >99.0%
-
-
-
-
