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CAS 131084-35-0 5-PROPOXY-3-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-1H-PYRROLO[3,2-B]PYRIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 131084-35-0

5-PROPOXY-3-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-1H-PYRROLO[3,2-B]PYRIDINE HYDROCHLORIDE

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Batchno.20260512 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS131084-35-0
  • Purity/Analytical Methods: >99.0%
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131084-35-0 / 5-propoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine

Standard CAS: 131084-35-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131084-35-0
Multi CAS
No
Molecular Formula
C15H19N3O
Molecular Weight
257.330000
Exact Mass
257.152812
SMILES
CCCOC1=NC2=C(C=C1)NC=C2C3=CCNCC3
InChI
InChI=1S/C15H19N3O/c1-2-9-19-14-4-3-13-15(18-14)12(10-17-13)11-5-7-16-8-6-11/h3-5,10,16-17H,2,6-9H2,1H3
InChIKey
KWQWBZIGHIOKIO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.34
TPSA
49.94

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
2
Consensus LogP
2.38
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

Drug-likeness / Medicinal Chemistry

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

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