CAS RN: 1380109-77-2
5-(benzyloxy)-1-hydroxy-2-(hydroxyMethyl)pyridin-4(1H)-one
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.20260417 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1380109-77-2
- Purity/Analytical Methods: >99.0%
1380109-77-2 / 1-hydroxy-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one
Basic Information
CAS
1380109-77-2
Multi CAS
No
Molecular Formula
C13H13NO4
Molecular Weight
247.250000
Exact Mass
247.084458
SMILES
C1=CC=C(C=C1)COC2=CN(C(=CC2=O)CO)O
InChI
InChI=1S/C13H13NO4/c15-8-11-6-12(16)13(7-14(11)17)18-9-10-4-2-1-3-5-10/h1-7,15,17H,8-9H2
InChIKey
WXDZAAMYPHQHOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
64.58
TPSA
71.69
LogP / Solubility
WLOGP
1.16
MLOGP
1.02
XLogP3
1.1
Consensus LogP
1.09
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-3.41
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
Customers Also Viewed
-
![CAS 1380160-28-0 6-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
6-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine
- CAS RN: 1380160-28-0
- Product Code: starshine_CAS1380160-28-0
- Purity/Analytical method: >99.0%
-
6-fluoro-1-methyl-1H-pyrrolo[2,3-b]pyridine
- CAS RN: 1380161-18-1
- Product Code: SSC-047972
-
-
-
-
Stannane, [4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b’]dithien-2-yl]trimethyl-
- CAS RN: 1380238-73-2
- Product Code: SSC-047983
![CAS 1380160-28-0 6-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380160-28-0.gif)
![CAS 1380161-18-1 6-fluoro-1-methyl-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380161-18-1.gif)
![CAS 1380203-57-5 Ir[dF(t-Bu)-ppy]3 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380203-57-5.gif)
![CAS 1380238-73-2 Stannane, [4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b’]dithien-2-yl]trimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380238-73-2.gif)