![CAS 130018-88-1 (-)-1-[(4-Chlorophenyl) Phenylmethyl] Piperazine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/61859100.gif)
CAS RN: 130018-88-1
(-)-1-[(4-Chlorophenyl) Phenylmethyl] 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.20260601 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC849992
130018-88-1 / 1-[(4-chlorophenyl)-phenylmethyl]piperazine
Basic Information
CAS
130018-88-1
Multi CAS
No
Molecular Formula
C17H19ClN2
Molecular Weight
286.800000
Exact Mass
286.123676
SMILES
C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2
InChIKey
UZKBSZSTDQSMDR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
84.18
TPSA
15.27
LogP / Solubility
WLOGP
3.33
MLOGP
2.94
XLogP3
3.4
Consensus LogP
3.22
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (94.6%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (89.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H361 (19.6%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
![CAS 79200-56-9 (1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
-
(1,3-Dioxolan-2-ylMethyl)MagnesiuM broMide, 0.5M solution in THF
- CAS RN: 180675-22-3
- Product Code: LIND920017
-
2-Methylbutyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate
- CAS RN: 910129-15-6
- Product Code: LINM902326
-
(1-(Trifluoromethyl)cyclopropyl)methanamine hydrochloride
- CAS RN: 1783418-59-6
- Product Code: SSC-078848
-
![CAS 79200-56-9 (1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/58727900.gif)
