CAS RN: 851169-39-6
3-AMINO-N,N-DIETHYL-4-(4-METHYLPIPERAZIN-1-YL)BENZENESULFONAMIDE
- Product code: SSC-193195
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 |
851169-39-6 / 3-amino-N,N-diethyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
Basic Information
CAS
851169-39-6
Multi CAS
No
Molecular Formula
C15H26N4O2S
Molecular Weight
326.500000
Exact Mass
326.177647
InChI
InChI=1S/C15H26N4O2S/c1-4-19(5-2)22(20,21)13-6-7-15(14(16)12-13)18-10-8-17(3)9-11-18/h6-7,12H,4-5,8-11,16H2,1-3H3
InChIKey
FRIAPOXGQKDNEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
90.67
TPSA
69.88
LogP / Solubility
WLOGP
1.05
MLOGP
0.94
XLogP3
1.7
Consensus LogP
1.23
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly 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)
-3.97
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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