Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
24207-00-9 / 6-methyl-1-oxidopyridin-1-ium-3-ol
Basic Information
CAS
24207-00-9
Multi CAS
No
Molecular Formula
C6H7NO2
Molecular Weight
125.130000
Exact Mass
125.047678
SMILES
CC1=[N+](C=C(C=C1)O)[O-]
InChI
InChI=1S/C6H7NO2/c1-5-2-3-6(8)4-7(5)9/h2-4,8H,1H3
InChIKey
RFESWJXQFMZDBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31.8
TPSA
47.17
LogP / Solubility
WLOGP
0.33
MLOGP
0.28
XLogP3
-0.1
Consensus LogP
0.17
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very 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)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
N,N’-(1,2-Ethanediyl)bis(nonanamide)
- CAS RN: 24209-82-3
- Product Code: starshine_CAS24209-82-3
- Purity/Analytical method: >99.0%
-
9-(4,6-dichloro-[1,3,5]triazin-2-yl)-carbazole
- CAS RN: 24209-95-8
- Product Code: SSC-118255
-
-
6,8-DIMETHYL-4′,5,7-TRIHYDROXYFLAVANONE
- CAS RN: 24211-30-1
- Product Code: starshine_CAS24211-30-1
- Purity/Analytical method: >99.0%
![CAS 24209-95-8 9-(4,6-dichloro-[1,3,5]triazin-2-yl)-carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24209-95-8.gif)
