[email protected]
CAS 112228-65-6 B 220 molecular structure lightbox
CAS RN: 112228-65-6

B 220

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260105 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS112228-65-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

112228-65-6 / 2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)-N,N-dimethylethanamine

B 220 | B-220 | RefChem:116176

Standard CAS: 112228-65-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
112228-65-6
Multi CAS
Yes
Molecular Formula
C20H22N4
Molecular Weight
318.400000
Exact Mass
318.184447
SMILES
CC1=CC2=C(C=C1C)N=C3C(=N2)C4=CC=CC=C4N3CCN(C)C
InChI
InChI=1S/C20H22N4/c1-13-11-16-17(12-14(13)2)22-20-19(21-16)15-7-5-6-8-18(15)24(20)10-9-23(3)4/h5-8,11-12H,9-10H2,1-4H3
InChIKey
FPLSGFJELWCFTH-UHFFFAOYSA-N
Synonyms
B 220 B-220 RefChem:116176 B220 2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)-N,N-dimethylethanamine

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
17
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
100.57
TPSA
33.95

LogP / Solubility

WLOGP
3.92
MLOGP
3.46
XLogP3
3.7
Consensus LogP
3.69
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us