CAS RN: 690635-35-9
Ethyl 4-amino-6-chloro-5-nitronicotinate
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.20260610 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS690635-35-9
- Purity/Analytical Methods: >99.0%
690635-35-9 / ethyl 4-amino-6-chloro-5-nitropyridine-3-carboxylate
Basic Information
CAS
690635-35-9
Multi CAS
No
Molecular Formula
C8H8CLN3O4
Molecular Weight
245.620000
Exact Mass
245.020333
InChI
InChI=1S/C8H8ClN3O4/c1-2-16-8(13)4-3-11-7(9)6(5(4)10)12(14)15/h3H,2H2,1H3,(H2,10,11)
InChIKey
NTNJJLYBWLJZBS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
56.27
TPSA
108.35
LogP / Solubility
WLOGP
1.4
MLOGP
1.24
XLogP3
1.7
Consensus LogP
1.45
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately 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)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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