[email protected]
CAS 133345-21-8 Loratadine Side Chain Impurity molecular structure lightbox
CAS RN: 133345-21-8

Loratadine Side Chain Impurity

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260130 25mg / 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS133345-21-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

133345-21-8 / [4-(4-acetylpiperazin-1-yl)phenyl] acetate

Standard CAS: 133345-21-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133345-21-8
Multi CAS
No
Molecular Formula
C14H18N2O3
Molecular Weight
262.300000
Exact Mass
262.131742
SMILES
CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(=O)C
InChI
InChI=1S/C14H18N2O3/c1-11(17)15-7-9-16(10-8-15)13-3-5-14(6-4-13)19-12(2)18/h3-6H,7-10H2,1-2H3
InChIKey
IDJWOOOPGREFPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
72.22
TPSA
49.85

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
1.1
Consensus LogP
1.17
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us