CAS RN: 1693763-28-8
3-(6-chloro-2-methoxypyridin-3-yl)-3-methylpiperidin-2-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.20260102 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1693763-28-8
- Purity/Analytical Methods: >99.0%
1693763-28-8 / 3-(6-chloro-2-methoxy-3-pyridinyl)-3-methylpiperidin-2-one
Basic Information
CAS
1693763-28-8
Multi CAS
No
Molecular Formula
C12H15ClN2O2
Molecular Weight
254.710000
Exact Mass
254.082205
SMILES
CC1(CCCNC1=O)C2=C(N=C(C=C2)Cl)OC
InChI
InChI=1S/C12H15ClN2O2/c1-12(6-3-7-14-11(12)16)8-4-5-9(13)15-10(8)17-2/h4-5H,3,6-7H2,1-2H3,(H,14,16)
InChIKey
WAIMOOPDMOJEIR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.39
TPSA
51.22
LogP / Solubility
WLOGP
1.91
MLOGP
1.69
XLogP3
2.2
Consensus LogP
1.93
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
1-(1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl)ethanone
- CAS RN: 1693766-04-9
- Product Code: starshine_CAS1693766-04-9
- Purity/Analytical method: >99.0%
-
-
4(3H)-Quinazolinone, 7-bromo-2-cyclopropyl-
- CAS RN: 1693955-94-0
- Product Code: SSC-073967
-
-
2-bromo-5-cyclopropylthiazole-4-carboxylicacid
- CAS RN: 1694180-93-2
- Product Code: SSC-073998
-
1-amino-3-methylcyclobutane-1-carboxylic acid
- CAS RN: 1694344-90-5
- Product Code: starshine_CAS1694344-90-5
- Purity/Analytical method: >99.0%
![CAS 1694042-51-7 7-BROMOSPIRO[CYCLOPROPANE-1,3-INDOLINE] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1694042-51-7.gif)
