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CAS 67203-48-9 6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine molecular structure lightbox
CAS RN: 67203-48-9

6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine

  • Product code: SSC-176851
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 67203-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

67203-48-9 / 6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine

Standard CAS: 67203-48-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67203-48-9
Multi CAS
No
Molecular Formula
C9H12N2
Molecular Weight
148.200000
Exact Mass
148.100048
InChI
InChI=1S/C9H12N2/c1-2-6-10-9-5-3-7-11-8(9)4-1/h3,5,7,10H,1-2,4,6H2
InChIKey
ILVDDECKGYUWPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.66
TPSA
24.92

LogP / Solubility

WLOGP
1.83
MLOGP
1.6
XLogP3
1.6
Consensus LogP
1.68
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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