CAS RN: 58820-36-3
1-(4-chloro-o-tolyl)piperazine
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.20250211 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS58820-36-3
- Purity/Analytical Methods: >99.0%
58820-36-3 / 1-(4-chloro-2-methylphenyl)piperazine
Basic Information
CAS
58820-36-3
Multi CAS
Yes
Molecular Formula
C11H15CLN2
Molecular Weight
210.700000
Exact Mass
210.092376
InChI
InChI=1S/C11H15ClN2/c1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKey
MXEFOSLEAQWWDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.27
TPSA
15.27
LogP / Solubility
WLOGP
2.06
MLOGP
1.81
XLogP3
2.8
Consensus LogP
2.22
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
ETH 149
- CAS RN: 58821-96-8
- Product Code: starshine_CAS58821-96-8
- Purity/Analytical method: >99.0%
-
[LEU5]-ENKEPHALIN
- CAS RN: 58822-25-6
- Product Code: starshine_CAS58822-25-6
- Purity/Analytical method: >99.0%
-
secoxyloganin
- CAS RN: 58822-47-2
- Product Code: starshine_CAS58822-47-2
- Purity/Analytical method: >99.0%
-
6-Chloro-7-Methyl-[1,2,4]Triazolo[4,3-B]Pyridazine
- CAS RN: 58826-39-4
- Product Code: SSC-167163
-
6-Chloro-8-Methyl-[1,2,4]Triazolo[4,3-B]Pyridazine
- CAS RN: 58826-40-7
- Product Code: SSC-167164
-
![CAS 58822-25-6 [LEU5]-ENKEPHALIN molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58822-25-6.gif)
![CAS 58826-39-4 6-Chloro-7-Methyl-[1,2,4]Triazolo[4,3-B]Pyridazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58826-39-4.gif)
![CAS 58826-40-7 6-Chloro-8-Methyl-[1,2,4]Triazolo[4,3-B]Pyridazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58826-40-7.gif)
