CAS RN: 1203499-09-5
3-(3-(Benzyloxy)pyridin-2-yl)prop-2-yn-1-ol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260525 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1203499-09-5
- Purity/Analytical Methods: >99.0%
1203499-09-5 / 3-(3-phenylmethoxy-2-pyridinyl)prop-2-yn-1-ol
3-(3-(Benzyloxy)pyridin-2-yl)prop-2-yn-1-ol | 3-(3-phenylmethoxypyridin-2-yl)prop-2-yn-1-ol | MFCD13176637
Basic Information
CAS
1203499-09-5
Multi CAS
No
Molecular Formula
C15H13NO2
Molecular Weight
239.270000
Exact Mass
239.094629
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)C#CCO
InChI
InChI=1S/C15H13NO2/c17-11-5-8-14-15(9-4-10-16-14)18-12-13-6-2-1-3-7-13/h1-4,6-7,9-10,17H,11-12H2
InChIKey
COBXXSXAUUFNMC-UHFFFAOYSA-N
Synonyms
3-(3-(Benzyloxy)pyridin-2-yl)prop-2-yn-1-ol
3-(3-phenylmethoxypyridin-2-yl)prop-2-yn-1-ol
MFCD13176637
3-[3-(benzyloxy)pyridin-2-yl]prop-2-yn-1-ol
DTXSID40673570
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.97
TPSA
42.35
LogP / Solubility
WLOGP
2
MLOGP
1.77
XLogP3
1.9
Consensus LogP
1.89
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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