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CAS 205-38-9 7H-benzo[e]pyrido[2,3-b]indole molecular structure lightbox
CAS RN: 205-38-9

7H-benzo[e]pyrido[2,3-b]indole

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250609 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS205-38-9
  • Purity/Analytical Methods: >99.0%
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205-38-9 / 11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene

Standard CAS: 205-38-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
205-38-9
Multi CAS
No
Molecular Formula
C15H10N2
Molecular Weight
218.250000
Exact Mass
218.084398
SMILES
C1=CC=C2C(=C1)C=CC3=C2C4=C(N3)N=CC=C4
InChI
InChI=1S/C15H10N2/c1-2-5-11-10(4-1)7-8-13-14(11)12-6-3-9-16-15(12)17-13/h1-9H,(H,16,17)
InChIKey
RVFKHNVYEXELFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
17
H-bond acceptors
1
H-bond donors
1
Molar refractivity
71.11
TPSA
28.68

LogP / Solubility

WLOGP
3.87
MLOGP
3.41
XLogP3
3.9
Consensus LogP
3.73
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
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)
-1.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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