![CAS 1177643-98-9 [1-(2,4-Dichloro-benzenesulfonyl)-piperidin-2-yl]-Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62577249.gif)
CAS RN: 1177643-98-9
[1-(2,4-Dichloro-benzenesulfonyl)-piperidin-2-yl]-Methanol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260503 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1177643-98-9
- Purity/Analytical Methods: >99.0%
1177643-98-9 / [1-(2,4-dichlorophenyl)sulfonylpiperidin-2-yl]methanol
(1-((2,4-Dichlorophenyl)sulfonyl)piperidin-2-yl)methanol | [1-(2,4-Dichloro-benzenesulfonyl)-piperidin-2-yl]-methanol | [1-(2,4-dichlorophenyl)sulfonylpiperidin-2-yl]methanol
Basic Information
CAS
1177643-98-9
Multi CAS
No
Molecular Formula
C12H15Cl2NO3S
Molecular Weight
324.200000
Exact Mass
323.014970
SMILES
C1CCN(C(C1)CO)S(=O)(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H15Cl2NO3S/c13-9-4-5-12(11(14)7-9)19(17,18)15-6-2-1-3-10(15)8-16/h4-5,7,10,16H,1-3,6,8H2
InChIKey
VLLQCKBOMIFNAS-UHFFFAOYSA-N
Synonyms
(1-((2,4-Dichlorophenyl)sulfonyl)piperidin-2-yl)methanol
[1-(2,4-Dichloro-benzenesulfonyl)-piperidin-2-yl]-methanol
[1-(2,4-dichlorophenyl)sulfonylpiperidin-2-yl]methanol
Oprea1_769864
AKOS024464631
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.08
TPSA
57.61
LogP / Solubility
WLOGP
2.53
MLOGP
2.24
XLogP3
2.6
Consensus LogP
2.46
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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