![CAS 872506-67-7 “(3S)-1-[(3-chloro-2-methylbenzene)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/872506-67-7.gif)
CAS RN: 872506-67-7
“(3S)-1-[(3-chloro-2-methylbenzene)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide”
Product Availability
Choose a grade to view its available package options.
6 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260407 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batchno.20260701 | 10mg | Out of stock | Inquiry | ||
| Batchno.20250305 | 1mg | Out of stock | Inquiry | ||
| Batchno.20250827 | 25mg | Out of stock | Inquiry | ||
| Batchno.20250613 | 50mg | Out of stock | Inquiry | ||
| Batchno.20260405 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS872506-67-7
- Purity/Analytical Methods: >99.0%
872506-67-7 / 1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide
Basic Information
CAS
872506-67-7
Multi CAS
Yes
Molecular Formula
C19H27CLN2O3S
Molecular Weight
398.900000
Exact Mass
398.143092
InChI
InChI=1S/C19H27ClN2O3S/c1-14-17(20)10-5-11-18(14)26(24,25)22-12-6-7-15(13-22)19(23)21-16-8-3-2-4-9-16/h5,10-11,15-16H,2-4,6-9,12-13H2,1H3,(H,21,23)/t15-/m0/s1
InChIKey
ODRPEKCTTLECBX-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
102.69
TPSA
66.48
LogP / Solubility
WLOGP
3.5
MLOGP
3.1
XLogP3
3.6
Consensus LogP
3.4
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
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
Yes
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
6-Chloro-N-ethylpyrimidin-4-amine
- CAS RN: 872511-30-3
- Product Code: starshine_CAS872511-30-3
- Purity/Analytical method: >99.0%
-
-
“N4-(4-(4-ethylpiperazin-1-yl)phenyl)-N6-MethylpyriMidine-4,6-diaMine”
- CAS RN: 872511-35-8
- Product Code: SSC-197019
-
C-(5-bromo-7-chloro-2,3-dihydro-benzofuran-2-yl)-N-BOC-methylamine
- CAS RN: 872518-71-3
- Product Code: starshine_CAS872518-71-3
- Purity/Analytical method: >99.0%
-
