CAS RN: 1385767-86-1
Pyridoxine Impurity 9
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.20260120 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1385767-86-1
- Purity/Analytical Methods: >99.0%
1385767-86-1 / 8-methyl-3-propyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol
Basic Information
CAS
1385767-86-1
Multi CAS
No
Molecular Formula
C12H17NO3
Molecular Weight
223.270000
Exact Mass
223.120843
SMILES
CCCC1OCC2=CN=C(C(=C2CO1)O)C
InChI
InChI=1S/C12H17NO3/c1-3-4-11-15-6-9-5-13-8(2)12(14)10(9)7-16-11/h5,11,14H,3-4,6-7H2,1-2H3
InChIKey
FZABEONAMIQWGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.91
TPSA
51.58
LogP / Solubility
WLOGP
2.27
MLOGP
2
XLogP3
1.4
Consensus LogP
1.89
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly 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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 1385826-87-8 9-[4′-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)[1,1′-BIPHENYL]-3-YL]-9H-CARBAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1385826-87-8.gif)
