![CAS 1600511-80-5 2,5-Dichloropyrido[3,4-b]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1600511-80-5.gif)
CAS RN: 1600511-80-5
2,5-Dichloropyrido[3,4-b]pyrazine
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS1600511-80-5
- Purity/Analytical Methods: >99.0%
1600511-80-5 / 2,5-dichloropyrido[3,4-b]pyrazine
Basic Information
CAS
1600511-80-5
Multi CAS
No
Molecular Formula
C7H3Cl2N3
Molecular Weight
200.020000
Exact Mass
198.970403
SMILES
C1=CN=C(C2=NC=C(N=C21)Cl)Cl
InChI
InChI=1S/C7H3Cl2N3/c8-5-3-11-6-4(12-5)1-2-10-7(6)9/h1-3H
InChIKey
LUXKBFNGXYMUHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
47.35
TPSA
38.67
LogP / Solubility
WLOGP
2.33
MLOGP
2.05
XLogP3
2.1
Consensus LogP
2.16
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
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
Customers Also Viewed
-
-
2-methyl-4-(methylthio)butan-2-amine
- CAS RN: 1600814-98-9
- Product Code: starshine_CAS1600814-98-9
- Purity/Analytical method: >99.0%
-
-
-
6-Chloro-7-fluoro-2-quinolinecarboxylic acid
- CAS RN: 1601170-14-2
- Product Code: SSC-068093
-
[1,1′-Biphenyl]-4-amine, N-(4-bromophenyl)-2′,4′-dibutoxy-N-(2′,4′-dibutoxy[1,1′-biphenyl]-4-yl)-
- CAS RN: 1601474-19-4
- Product Code: starshine_CAS1601474-19-4
- Purity/Analytical method: >99.0%
![CAS 1601474-19-4 [1,1′-Biphenyl]-4-amine, N-(4-bromophenyl)-2′,4′-dibutoxy-N-(2′,4′-dibutoxy[1,1′-biphenyl]-4-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1601474-19-4.gif)