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 | Beijing | Inquiry |
70080-13-6 / 2-naphthalen-2-ylacetaldehyde
Basic Information
CAS
70080-13-6
Multi CAS
Yes
Molecular Formula
C12H10O
Molecular Weight
170.210000
Exact Mass
170.073165
InChI
InChI=1S/C12H10O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,8-9H,7H2
InChIKey
ZONWDLKOOMKAKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
53.72
TPSA
17.07
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
2.5
Consensus LogP
2.45
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
2-(4-FLUOROPHENYL)-1H-INDOLE-3-CARBOXAL&
- CAS RN: 70093-12-8
- Product Code: starshine_CAS70093-12-8
- Purity/Analytical method: >99.0%
-
DL-SERINE (2,3,3-D3)
- CAS RN: 70094-78-9
- Product Code: starshine_CAS70094-78-9
- Purity/Analytical method: >99.0%
-
