![CAS 1201324-15-3 1H-Pyrrolo[2,3-b]pyridine-5-carboxylicacid,1-[(4-Methoxyphenyl)Methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1201324-15-3.gif)
CAS RN: 1201324-15-3
1H-Pyrrolo[2,3-b]pyridine-5-carboxylicacid,1-[(4-Methoxyphenyl)Methyl]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260108 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1201324-15-3
- Purity/Analytical Methods: >99.0%
1201324-15-3 / 1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid
1-(4-Methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid | 1-[(4-METHOXYPHENYL)METHYL]PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID | 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 1-[(4-methoxyphenyl)methyl]-
Basic Information
CAS
1201324-15-3
Multi CAS
No
Molecular Formula
C16H14N2O3
Molecular Weight
282.290000
Exact Mass
282.100442
SMILES
COC1=CC=C(C=C1)CN2C=CC3=CC(=CN=C32)C(=O)O
InChI
InChI=1S/C16H14N2O3/c1-21-14-4-2-11(3-5-14)10-18-7-6-12-8-13(16(19)20)9-17-15(12)18/h2-9H,10H2,1H3,(H,19,20)
InChIKey
BOZCALFGYFDDNJ-UHFFFAOYSA-N
Synonyms
1-(4-Methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
1-[(4-METHOXYPHENYL)METHYL]PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 1-[(4-methoxyphenyl)methyl]-
1H-Pyrrolo[2,3-b]pyridine-5-carboxylicacid,1-[(4-Methoxyphenyl)Methyl]-
BOZCALFGYFDDNJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.79
TPSA
64.35
LogP / Solubility
WLOGP
2.79
MLOGP
2.47
XLogP3
2.4
Consensus LogP
2.55
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.29
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 1201580-97-3 Benzoic acid, 3,4,5-trihydroxy-, (1R,3R,4R,6S,9S)-9-[(benzoyloxy)methyl]-1-(β-D-glucopyranosyloxy)-6-methyl-8-oxo-7-oxatricyclo[4.3.0.03,9]non-4-yl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1201580-97-3.gif)
