CAS RN: 752211-63-5
1-PHENYL-D5-AZO-2-NAPHTHOL
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.20251020 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS752211-63-5
- Purity/Analytical Methods: >99.0%
752211-63-5 / 1-[(2,3,4,5,6-pentadeuteriophenyl)diazenyl]naphthalen-2-ol
Basic Information
CAS
752211-63-5
Multi CAS
Yes
Molecular Formula
C16H12N2O
Molecular Weight
253.310000
Exact Mass
253.126347
InChI
InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H/i1D,2D,3D,7D,8D
InChIKey
MRQIXHXHHPWVIL-RCQSQLKUSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.23
TPSA
44.95
LogP / Solubility
WLOGP
4.96
MLOGP
4.37
XLogP3
4.1
Consensus LogP
4.48
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
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)
-0.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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