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 | Beijing | Inquiry |
591228-12-5 / ethyl 3-hydroxy-3-pyridin-3-ylpropanoate
Basic Information
CAS
591228-12-5
Multi CAS
No
Molecular Formula
C10H13NO3
Molecular Weight
195.210000
Exact Mass
195.089543
InChI
InChI=1S/C10H13NO3/c1-2-14-10(13)6-9(12)8-4-3-5-11-7-8/h3-5,7,9,12H,2,6H2,1H3
InChIKey
YHUNNSMSEATGJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.45
TPSA
59.42
LogP / Solubility
WLOGP
1.07
MLOGP
0.94
XLogP3
0.2
Consensus LogP
0.74
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.3
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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
DisodiuM trans-crocetinate
- CAS RN: 591230-99-8
- Product Code: starshine_CAS591230-99-8
- Purity/Analytical method: >99.0%
-
5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-3-CARBALDEHYDE
- CAS RN: 591234-14-9
- Product Code: SSC-167532
-
(5Z)-2-hydroxy-4-methyl-6-oxo-5-[(5-phenylfuran-2-yl)methylidene]-5,6-dihydropyridine-3-carbonitrile
- CAS RN: 591239-68-8
- Product Code: starshine_CAS591239-68-8
- Purity/Analytical method: >99.0%
-
-
1H-Carbazole,7-chloro-2,3,4,9-tetrahydro-8-methyl-(9CI)
- CAS RN: 591735-13-6
- Product Code: SSC-167572
-
![CAS 591239-68-8 (5Z)-2-hydroxy-4-methyl-6-oxo-5-[(5-phenylfuran-2-yl)methylidene]-5,6-dihydropyridine-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/591239-68-8.gif)
