CAS RN: 2567-85-3
PARA-TOLUENESULFONIC ACID CYCLOOCTYLIDENEHYDRAZIDE
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.20260422 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2567-85-3
- Purity/Analytical Methods: >99.0%
2567-85-3 / N-(cyclooctylideneamino)-4-methylbenzenesulfonamide
Basic Information
CAS
2567-85-3
Multi CAS
No
Molecular Formula
C15H22N2O2S
Molecular Weight
294.400000
Exact Mass
294.140199
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCCCCC2
InChI
InChI=1S/C15H22N2O2S/c1-13-9-11-15(12-10-13)20(18,19)17-16-14-7-5-3-2-4-6-8-14/h9-12,17H,2-8H2,1H3
InChIKey
XZZUWPBPPGAHOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.25
TPSA
58.53
LogP / Solubility
WLOGP
3.37
MLOGP
2.98
XLogP3
3.5
Consensus LogP
3.28
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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