[email protected]
CAS 1189487-82-8 Olaquindox-d4 molecular structure lightbox
CAS RN: 1189487-82-8

Olaquindox-d4

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260107 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1189487-82-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1189487-82-8 / 3-methyl-4-oxido-1-oxo-N-(1,1,2,2-tetradeuterio-2-hydroxyethyl)quinoxalin-1-ium-2-carboxamide

Olaquindox | Bayernox | 2-Quinoxalinecarboxamide, N-(2-hydroxyethyl)-3-methyl-, 1,4-dioxide

Standard CAS: 1189487-82-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1189487-82-8
Multi CAS
Yes
Molecular Formula
C12H13N3O4
Molecular Weight
267.270000
Exact Mass
267.115713
SMILES
[2H]C([2H])(C([2H])([2H])O)NC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])C
InChI
InChI=1S/C12H13N3O4/c1-8-11(12(17)13-6-7-16)15(19)10-5-3-2-4-9(10)14(8)18/h2-5,16H,6-7H2,1H3,(H,13,17)/i6D2,7D2
InChIKey
TURHTASYUMWZCC-KXGHAPEVSA-N
Synonyms
Olaquindox Bayernox 2-Quinoxalinecarboxamide, N-(2-hydroxyethyl)-3-methyl-, 1,4-dioxide BAY Va 9391 N-(2-Hydroxyethyl)-3-methyl-2-quinoxalinecarboxamide 1,4-dioxide

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
68.23
TPSA
100.29

LogP / Solubility

WLOGP
-0.07
MLOGP
-0.05
XLogP3
-0.2
Consensus LogP
-0.11
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-4.37

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement Codes
P233, P260, P264, P270, P271, P284, P301+P317, P304+P340, P330, P342+P316, P403, and P501

Customers Also Viewed

Get In Touch

Contact Us