CAS RN: 1864526-45-3
1-(4-ethoxypyridin-3-yl)butan-1-one
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.20251128 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1864526-45-3
- Purity/Analytical Methods: >99.0%
1864526-45-3 / 1-(4-ethoxy-3-pyridinyl)butan-1-one
Basic Information
CAS
1864526-45-3
Multi CAS
No
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
SMILES
CCCC(=O)C1=C(C=CN=C1)OCC
InChI
InChI=1S/C11H15NO2/c1-3-5-10(13)9-8-12-7-6-11(9)14-4-2/h6-8H,3-5H2,1-2H3
InChIKey
ALQVRGPGTUKPNQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
54.64
TPSA
39.19
LogP / Solubility
WLOGP
2.46
MLOGP
2.17
XLogP3
1.7
Consensus LogP
2.11
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.56
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)
-2.15
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,1-Di-Boc-3-(4-bromophenyl)-3-azetidinamine
- CAS RN: 1864803-36-0
- Product Code: SSC-086594
-
-
-
1-(Azetidin-3-yl)-4,4-difluoropiperidine hydrochloride
- CAS RN: 1864979-29-2
- Product Code: SSC-086612
-
6-Isopropylpicolinamide
- CAS RN: 1865042-46-1
- Product Code: starshine_CAS1865042-46-1
- Purity/Analytical method: >99.0%
-
Capmatinib hydrochloride
- CAS RN: 1865733-40-9
- Product Code: starshine_CAS1865733-40-9
- Purity/Analytical method: >99.0%
