CAS RN: 60301-04-4
(+)-S-o-Anisyl S-phenyl sulphoxid
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.20260618 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS60301-04-4
- Purity/Analytical Methods: >99.0%
60301-04-4 / 1-(benzenesulfinyl)-2-methoxybenzene
Basic Information
CAS
60301-04-4
Multi CAS
Yes
Molecular Formula
C13H12O2S
Molecular Weight
232.300000
Exact Mass
232.055801
InChI
InChI=1S/C13H12O2S/c1-15-12-9-5-6-10-13(12)16(14)11-7-3-2-4-8-11/h2-10H,1H3/t16-/m1/s1
InChIKey
FOYIPSPJAHHQKW-MRXNPFEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
64.11
TPSA
26.3
LogP / Solubility
WLOGP
2.86
MLOGP
2.52
XLogP3
2.7
Consensus LogP
2.69
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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