[email protected]
CAS 139332-64-2 DBD-PZ [=4-(N,N-Dimethylaminosulfonyl)-7-piperazino-2,1,3-benzoxadiazole] [for HPLC Labeling] molecular structure lightbox
CAS RN: 139332-64-2

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

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250124 10mg In stock Inquiry
Batchno.20251027 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251020 10mg In stock Shanghai Inquiry
Batchno.20250524 50mg Out of stock 5-7 business days Inquiry
  • Product code: ICTA5555
  • Purity/Analytical Methods: >98.0%(HPLC)
GET A QUOTE

139332-64-2 / N,N-dimethyl-7-piperazin-1-yl-2,1,3-benzoxadiazole-4-sulfonamide

Standard CAS: 139332-64-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
139332-64-2
Multi CAS
No
Molecular Formula
C12H17N5O3S
Molecular Weight
311.360000
Exact Mass
311.105211
SMILES
CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCNCC3
InChI
InChI=1S/C12H17N5O3S/c1-16(2)21(18,19)10-4-3-9(11-12(10)15-20-14-11)17-7-5-13-6-8-17/h3-4,13H,5-8H2,1-2H3
InChIKey
XFQLOSBBYVMBGT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
77.76
TPSA
91.57

LogP / Solubility

WLOGP
-0.12
MLOGP
-0.09
XLogP3
-0.2
Consensus LogP
-0.14
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.95
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)
-4.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us