CAS RN: 1201916-31-5
TCS 2210
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250324 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1201916-31-5
- Purity/Analytical Methods: >99.0%
1201916-31-5 / N-hydroxy-2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxamide
TCS 2210 | 6-Quinoxalinecarboxamide, 1,2-dihydro-N-hydroxy-2-oxo-3-(3-phenylpropyl)- | N-hydroxy-2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxamide
Basic Information
CAS
1201916-31-5
Multi CAS
Yes
Molecular Formula
C18H17N3O3
Molecular Weight
323.300000
Exact Mass
323.126991
SMILES
C1=CC=C(C=C1)CCCC2=NC3=C(C=CC(=C3)C(=O)NO)NC2=O
InChI
InChI=1S/C18H17N3O3/c22-17(21-24)13-9-10-14-16(11-13)19-15(18(23)20-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,24H,4,7-8H2,(H,20,23)(H,21,22)
InChIKey
ZOFZKGFBKISZRI-UHFFFAOYSA-N
Synonyms
TCS 2210
6-Quinoxalinecarboxamide, 1,2-dihydro-N-hydroxy-2-oxo-3-(3-phenylpropyl)-
N-hydroxy-2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxamide
TCS-2210
CHEMBL566099
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
90.08
TPSA
95.08
LogP / Solubility
WLOGP
2.22
MLOGP
1.97
XLogP3
1.7
Consensus LogP
1.96
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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