CAS RN: 1156804-89-5
(2-Chloro-pyridin-3-yl)-(3-hydroxyMethyl-piperidin-1-yl)-Methanone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250813 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1156804-89-5
- Purity/Analytical Methods: >99.0%
1156804-89-5 / (2-chloro-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
(2-Chloropyridin-3-yl)(3-(hydroxymethyl)piperidin-1-yl)methanone | (2-Chloro-pyridin-3-yl)-(3-hydroxymethyl-piperidin-1-yl)-methanone | Methanone, (2-chloro-3-pyridinyl)[3-(hydroxymethyl)-1-piperidinyl]-
Basic Information
CAS
1156804-89-5
Multi CAS
No
Molecular Formula
C12H15ClN2O2
Molecular Weight
254.710000
Exact Mass
254.082205
SMILES
C1CC(CN(C1)C(=O)C2=C(N=CC=C2)Cl)CO
InChI
InChI=1S/C12H15ClN2O2/c13-11-10(4-1-5-14-11)12(17)15-6-2-3-9(7-15)8-16/h1,4-5,9,16H,2-3,6-8H2
InChIKey
FWHXHERMJJAYTI-UHFFFAOYSA-N
Synonyms
(2-Chloropyridin-3-yl)(3-(hydroxymethyl)piperidin-1-yl)methanone
(2-Chloro-pyridin-3-yl)-(3-hydroxymethyl-piperidin-1-yl)-methanone
Methanone, (2-chloro-3-pyridinyl)[3-(hydroxymethyl)-1-piperidinyl]-
(2-chloropyridin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
[1-(2-CHLOROPYRIDINE-3-CARBONYL)PIPERIDIN-3-YL]METHANOL
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
64.96
TPSA
53.43
LogP / Solubility
WLOGP
1.58
MLOGP
1.4
XLogP3
1.3
Consensus LogP
1.43
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
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
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