CAS RN: 16212-07-0
DIOXO(PHENYL)(3-PHENYL-2-PROPENYL)-LAMBDA6-SULFANE
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.20251213 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS16212-07-0
- Purity/Analytical Methods: >99.0%
16212-07-0 / [(E)-3-(benzenesulfonyl)prop-1-enyl]benzene
Basic Information
CAS
16212-07-0
Multi CAS
No
Molecular Formula
C15H14O2S
Molecular Weight
258.300000
Exact Mass
258.071451
SMILES
C1=CC=C(C=C1)/C=C/CS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H14O2S/c16-18(17,15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-12H,13H2/b10-7+
InChIKey
AWOQCRQDXFVJPL-JXMROGBWSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
73.97
TPSA
34.14
LogP / Solubility
WLOGP
3.17
MLOGP
2.8
XLogP3
3.3
Consensus LogP
3.09
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly 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)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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