CAS RN: 125757-81-5
4(1H)-Pyridinone,2-ethyl-3-hydroxy-(9CI)
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.20250503 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS125757-81-5
- Purity/Analytical Methods: >99.0%
125757-81-5 / 2-ethyl-3-hydroxy-1H-pyridin-4-one
Basic Information
CAS
125757-81-5
Multi CAS
No
Molecular Formula
C7H9NO2
Molecular Weight
139.150000
Exact Mass
139.063329
SMILES
CCC1=C(C(=O)C=CN1)O
InChI
InChI=1S/C7H9NO2/c1-2-5-7(10)6(9)3-4-8-5/h3-4,10H,2H2,1H3,(H,8,9)
InChIKey
ZCSPHZQZAPBTHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.11
TPSA
53.09
LogP / Solubility
WLOGP
0.64
MLOGP
0.56
XLogP3
0.8
Consensus LogP
0.67
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
N-(9-Fluorenylmethoxycarbonyl)-L-serine Phenacyl Ester
- CAS RN: 125760-26-1
- Product Code: starshine_CAS125760-26-1
- Purity/Analytical method: >99.0%
-
Fmoc-L-Ser[alpha-(Gal-beta(1-3)-GalNAc)]-OH peracetate
- CAS RN: 125760-30-7
- Product Code: starshine_CAS125760-30-7
- Purity/Analytical method: >99.0%
-
Fmoc-L-Thr[alpha-(Gal-beta(1-3)-GalNAc)]-OH peracetate
- CAS RN: 125760-33-0
- Product Code: starshine_CAS125760-33-0
- Purity/Analytical method: >99.0%
-
COPPER(II) IONOPHORE I
- CAS RN: 125769-67-7
- Product Code: starshine_CAS125769-67-7
- Purity/Analytical method: >99.0%
-
-
![CAS 125760-30-7 Fmoc-L-Ser[alpha-(Gal-beta(1-3)-GalNAc)]-OH peracetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/125760-30-7.gif)
![CAS 125760-33-0 Fmoc-L-Thr[alpha-(Gal-beta(1-3)-GalNAc)]-OH peracetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/125760-33-0.gif)
