CAS RN: 749902-34-9
3-AMINO-N,N-DIETHYL-4-(PROPYLAMINO)BENZENESULFONAMIDE
- Product code: SSC-184481
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 | Beijing | Inquiry |
749902-34-9 / 3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide
Basic Information
CAS
749902-34-9
Multi CAS
No
Molecular Formula
C13H23N3O2S
Molecular Weight
285.410000
Exact Mass
285.151098
InChI
InChI=1S/C13H23N3O2S/c1-4-9-15-13-8-7-11(10-12(13)14)19(17,18)16(5-2)6-3/h7-8,10,15H,4-6,9,14H2,1-3H3
InChIKey
WTBKXFUXSGJNIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
79.74
TPSA
75.43
LogP / Solubility
WLOGP
2.12
MLOGP
1.88
XLogP3
2.6
Consensus LogP
2.2
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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