![CAS 1202564-31-5 2-chlorophenanthro[9,10-b]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1202564-31-5.gif)
CAS RN: 1202564-31-5
2-chlorophenanthro[9,10-b]pyrazine
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS1202564-31-5
- Purity/Analytical Methods: >99.0%
1202564-31-5 / 3-chlorophenanthro[9,10-b]pyrazine
2-chlorodibenzo[f,h]quinoxaline | 2-chlorophenanthro[9,10-b]pyrazine | 3-chlorophenanthro[9,10-b]pyrazine
Basic Information
CAS
1202564-31-5
Multi CAS
No
Molecular Formula
C16H9ClN2
Molecular Weight
264.710000
Exact Mass
264.045426
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C4=NC(=CN=C24)Cl
InChI
InChI=1S/C16H9ClN2/c17-14-9-18-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(15)19-14/h1-9H
InChIKey
FEYJCWNQZBKYKT-UHFFFAOYSA-N
Synonyms
2-chlorodibenzo[f,h]quinoxaline
2-chlorophenanthro[9,10-b]pyrazine
3-chlorophenanthro[9,10-b]pyrazine
MFCD28405117
2-Chlorodibenzo-(f,h)-quinoxaline
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
18
H-bond acceptors
2
Molar refractivity
79.56
TPSA
25.78
LogP / Solubility
WLOGP
4.59
MLOGP
4.05
XLogP3
3.8
Consensus LogP
4.15
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.08
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
2
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![CAS 1202652-88-7 METHYL(2S)-2-AMINO-2-[4-(TRIFLUOROMETHYL)PHENYL]ACETATE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1202652-88-7.gif)
