CAS RN: 16208-21-2
2-NAPHTHYLGLYOXAL HYDRATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250802 | 250mg / 1g / 5g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS16208-21-2
- Purity/Analytical Methods: >99.0%
16208-21-2 / 2-naphthalen-2-yl-2-oxoacetaldehyde;hydrate
Basic Information
CAS
16208-21-2
Multi CAS
No
Molecular Formula
C12H10O3
Molecular Weight
202.210000
Exact Mass
202.062994
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)C=O.O
InChI
InChI=1S/C12H8O2.H2O/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11;/h1-8H;1H2
InChIKey
VDEXQTPNFMMGEQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.96
TPSA
65.64
LogP / Solubility
WLOGP
1.4
MLOGP
1.23
XLogP3
1.4
Consensus LogP
1.34
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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