[email protected]
CAS 775579-10-7 1-(2-METHYLBENZOYL)PIPERAZINE molecular structure lightbox
CAS RN: 775579-10-7

1-(2-METHYLBENZOYL)PIPERAZINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260105 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS775579-10-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

775579-10-7 / (2-methylphenyl)-piperazin-1-ylmethanone

Standard CAS: 775579-10-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
775579-10-7
Multi CAS
No
Molecular Formula
C12H16N2O
Molecular Weight
204.270000
Exact Mass
204.126263
InChI
InChI=1S/C12H16N2O/c1-10-4-2-3-5-11(10)12(15)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
InChIKey
UWLVXFDJDRTPDH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.95
TPSA
32.34

LogP / Solubility

WLOGP
1.04
MLOGP
0.92
XLogP3
1.7
Consensus LogP
1.22
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-3.23

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

Get In Touch

Contact Us