CAS RN: 61249-00-1
S-(+)-α-Naphthyl Glycidyl Ether
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.20251001 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS61249-00-1
- Purity/Analytical Methods: >99.0%
61249-00-1 / 2-(naphthalen-1-yloxymethyl)oxirane
Basic Information
CAS
61249-00-1
Multi CAS
Yes
Molecular Formula
C13H12O2
Molecular Weight
200.230000
Exact Mass
200.083730
InChI
InChI=1S/C13H12O2/c1-2-6-12-10(4-1)5-3-7-13(12)15-9-11-8-14-11/h1-7,11H,8-9H2/t11-/m0/s1
InChIKey
QYYCPWLLBSSFBW-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
59.18
TPSA
21.76
LogP / Solubility
WLOGP
2.62
MLOGP
2.3
XLogP3
3.3
Consensus LogP
2.74
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
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
2
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