CAS RN: 324059-00-9
1-((4-bromo-2-methylphenyl)sulfonyl)piperidine
- Product code: SSC-137987
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
324059-00-9 / 1-(4-bromo-2-methylphenyl)sulfonylpiperidine
Basic Information
CAS
324059-00-9
Multi CAS
No
Molecular Formula
BC12H16O2RnS
Molecular Weight
318.230000
Exact Mass
317.008510
InChI
InChI=1S/C12H16BrNO2S/c1-10-9-11(13)5-6-12(10)17(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKey
MLZHDVKZGBUFLU-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
2
Molar refractivity
71.49
TPSA
37.38
LogP / Solubility
WLOGP
2.93
MLOGP
2.59
XLogP3
3
Consensus LogP
2.84
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 324068-31-7 1-[(4-CHLORO-3-NITROPHENYL)SULFONYL]-4-METHYLPIPERAZINE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-[(4-CHLORO-3-NITROPHENYL)SULFONYL]-4-METHYLPIPERAZINE
- CAS RN: 324068-31-7
- Product Code: SSC-137988
-
ZSET-845
- CAS RN: 324077-62-5
- Product Code: starshine_CAS324077-62-5
- Purity/Analytical method: >99.0%
-
octanoyl coenzyme a lithium salt hydrate
- CAS RN: 324518-20-9
- Product Code: starshine_CAS324518-20-9
- Purity/Analytical method: >99.0%
-
2-Chloro-6-[(2R)-3-[[1,1-dimethyl-2-(2-naphthalenyl)ethyl]amino]-2-hydroxypropoxy]benzonitrile hydrochloride
- CAS RN: 324523-20-8
- Product Code: starshine_CAS324523-20-8
- Purity/Analytical method: >99.0%
-
-
Diisopropyl 5-Methyl-2-thiazoleboronate LithiuM Isopropoxide Salt
- CAS RN: 324560-66-9
- Product Code: SSC-138045
![CAS 324068-31-7 1-[(4-CHLORO-3-NITROPHENYL)SULFONYL]-4-METHYLPIPERAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2384801(1).gif)
![CAS 324523-20-8 2-Chloro-6-[(2R)-3-[[1,1-dimethyl-2-(2-naphthalenyl)ethyl]amino]-2-hydroxypropoxy]benzonitrile hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/324523-20-8.gif)
