![CAS 49804-34-4 3-AMINO-N,N-DIETHYL-4-[(2-HYDROXYETHYL)AMINO]BENZENESULFONAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/49804-34-4.gif)
CAS RN: 49804-34-4
3-AMINO-N,N-DIETHYL-4-[(2-HYDROXYETHYL)AMINO]BENZENESULFONAMIDE
- Product code: SSC-156110
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 |
49804-34-4 / 3-amino-N,N-diethyl-4-(2-hydroxyethylamino)benzenesulfonamide
Basic Information
CAS
49804-34-4
Multi CAS
No
Molecular Formula
C12H21N3O3S
Molecular Weight
287.380000
Exact Mass
287.130363
InChI
InChI=1S/C12H21N3O3S/c1-3-15(4-2)19(17,18)10-5-6-12(11(13)9-10)14-7-8-16/h5-6,9,14,16H,3-4,7-8,13H2,1-2H3
InChIKey
QBNMUCDJSWNRKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
76.54
TPSA
95.66
LogP / Solubility
WLOGP
0.7
MLOGP
0.63
XLogP3
1
Consensus LogP
0.78
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.97
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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![CAS 49809-28-1 5-(4-CHLORO-PHENYL)-[1,3,4]OXADIAZOL-2-YLSULFANYL]-ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/49809-28-1.gif)
