CAS RN: 80840-09-1
1-(2-QUINOXALINYL)-1,2,3,4-BUTANETETROL
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.20260128 | 50mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS80840-09-1
- Purity/Analytical Methods: >99.0%
80840-09-1 / 1-quinoxalin-2-ylbutane-1,2,3,4-tetrol
Basic Information
CAS
80840-09-1
Multi CAS
Yes
Molecular Formula
C12H14N2O4
Molecular Weight
250.250000
Exact Mass
250.095357
InChI
InChI=1S/C12H14N2O4/c15-6-10(16)12(18)11(17)9-5-13-7-3-1-2-4-8(7)14-9/h1-5,10-12,15-18H,6H2
InChIKey
JNOHSLKLTQNYAD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
63.6
TPSA
106.7
LogP / Solubility
WLOGP
-0.62
MLOGP
-0.54
XLogP3
-1.5
Consensus LogP
-0.89
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-4.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
Methyl 1-Benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate
- CAS RN: 80845-58-5
- Product Code: SSC-189477
-
bis-Xylenofluorene
- CAS RN: 80850-00-6
- Product Code: starshine_CAS80850-00-6
- Purity/Analytical method: >99.0%
-
-
Phenylalanine, 3-carboxy-, hydrochloride (9CI)
- CAS RN: 80852-34-2
- Product Code: SSC-189479
-
2-(3,4-Dichlorophenyl)-2-methylpropanoic acid
- CAS RN: 80854-22-4
- Product Code: SSC-189481
-
2-(3,4-dichlorophenyl)-2-methylpropanenitrile
- CAS RN: 80854-24-6
- Product Code: SSC-189482
