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 | Hong Kong | Inquiry |
14906-37-7 / ethyl 1-oxidopyridin-1-ium-4-carboxylate
Basic Information
CAS
14906-37-7
Multi CAS
No
Molecular Formula
C8H9NO3
Molecular Weight
167.160000
Exact Mass
167.058243
SMILES
CCOC(=O)C1=CC=[N+](C=C1)[O-]
InChI
InChI=1S/C8H9NO3/c1-2-12-8(10)7-3-5-9(11)6-4-7/h3-6H,2H2,1H3
InChIKey
DPWRGNWJVVSVIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
41.36
TPSA
53.24
LogP / Solubility
WLOGP
0.5
MLOGP
0.43
XLogP3
0.4
Consensus LogP
0.44
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
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)
-3.39
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
-
-
-
-
-
Gold(1+), dichloro(1,10-phenanthroline-κN1,κN10)-, chloride (1:1), (SP-4-2)-
- CAS RN: 14910-99-7
- Product Code: starshine_CAS14910-99-7
- Purity/Analytical method: >99.0%
-
TRICHLORO(PYRIDINE)GOLD(III)
- CAS RN: 14911-01-4
- Product Code: starshine_CAS14911-01-4
- Purity/Analytical method: >99.0%
