[email protected]
CAS 189373-41-9 DBD-ED [=4-(N,N-Dimethylaminosulfonyl)-7-(2-aminoethylamino)-2,1,3-benzoxadiazole] [for HPLC Labeling] molecular structure lightbox
CAS RN: 189373-41-9

DBD-ED [=4-(N,N-Dimethylaminosulfonyl)-7-(2-aminoethylamino)-2,1,3-benzoxadiazole] [for HPLC Labeling]

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260103 10mg In stock Hebei Inquiry
Batchno.20260123 50mg Out of stock 5-7 business days Inquiry
  • Product code: ICTA5574
GET A QUOTE

189373-41-9 / 7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

Standard CAS: 189373-41-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
189373-41-9
Multi CAS
No
Molecular Formula
C10H15N5O3S
Molecular Weight
285.330000
Exact Mass
285.089561
SMILES
CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NCCN
InChI
InChI=1S/C10H15N5O3S/c1-15(2)19(16,17)8-4-3-7(12-6-5-11)9-10(8)14-18-13-9/h3-4,12H,5-6,11H2,1-2H3
InChIKey
RDMBHRPODMXKHT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
70.22
TPSA
114.35

LogP / Solubility

WLOGP
-0.16
MLOGP
-0.13
XLogP3
-0.6
Consensus LogP
-0.3
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
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)
-4.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us