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CAS 19686-12-5 7-methoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole molecular structure lightbox
CAS RN: 19686-12-5

7-methoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

  • Product code: SSC-092891
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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 19686-12-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

19686-12-5 / 7-methoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

Standard CAS: 19686-12-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19686-12-5
Multi CAS
No
Molecular Formula
C12H14N2O
Molecular Weight
202.250000
Exact Mass
202.110613
SMILES
COC1=CC2=C(C=C1)C3=C(N2)CCNC3
InChI
InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-7-13-5-4-11(10)14-12(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
InChIKey
DDIJCGUGXZYJQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.26
TPSA
37.05

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.5
Consensus LogP
1.64
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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