CAS RN: 258503-93-4
6-QUINOXALINECARBONYL CHLORIDE
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.20260322 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS258503-93-4
- Purity/Analytical Methods: >99.0%
258503-93-4 / quinoxaline-6-carbonyl chloride
Basic Information
CAS
258503-93-4
Multi CAS
No
Molecular Formula
C9H5ClN2O
Molecular Weight
192.600000
Exact Mass
192.009041
SMILES
C1=CC2=NC=CN=C2C=C1C(=O)Cl
InChI
InChI=1S/C9H5ClN2O/c10-9(13)6-1-2-7-8(5-6)12-4-3-11-7/h1-5H
InChIKey
UTEQROVYZDJSOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
49.72
TPSA
42.85
LogP / Solubility
WLOGP
2.01
MLOGP
1.77
XLogP3
2
Consensus LogP
1.93
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
7-broMo-2-Methyl-1,2,3,4-tetrahydroisoquinoline
- CAS RN: 258515-54-7
- Product Code: SSC-122481
-
TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
- CAS RN: 258515-65-0
- Product Code: SSC-122482
