CAS RN: 60672-33-5
4-methyl-N’-(1-p-tolylethylidene)benzenesulfonohydrazide
- Product code: SSC-169295
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
60672-33-5 / 4-methyl-N-[1-(4-methylphenyl)ethylideneamino]benzenesulfonamide
Basic Information
CAS
60672-33-5
Multi CAS
Yes
Molecular Formula
C16H18N2O2S
Molecular Weight
302.400000
Exact Mass
302.108899
InChI
InChI=1S/C16H18N2O2S/c1-12-4-8-15(9-5-12)14(3)17-18-21(19,20)16-10-6-13(2)7-11-16/h4-11,18H,1-3H3/b17-14+
InChIKey
PBRDDISAEJJRRH-SAPNQHFASA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.89
TPSA
58.53
LogP / Solubility
WLOGP
3.01
MLOGP
2.66
XLogP3
3.5
Consensus LogP
3.06
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43
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
2.5
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