[email protected]
CAS 204519-66-4 SB 223412-A molecular structure lightbox
CAS RN: 204519-66-4

SB 223412-A

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260116 10mg / 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS204519-66-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

204519-66-4 / 3-hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide;hydrochloride

Standard CAS: 204519-66-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204519-66-4
Multi CAS
No
Molecular Formula
C25H23ClN2O2
Molecular Weight
418.900000
Exact Mass
418.144806
SMILES
CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)O.Cl
InChI
InChI=1S/C25H22N2O2.ClH/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18;/h3-16,20,28H,2H2,1H3,(H,27,29);1H/t20-;/m0./s1
InChIKey
BHCSUEHQURQVLD-BDQAORGHSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
22
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
123.03
TPSA
62.22

LogP / Solubility

WLOGP
5.91
MLOGP
5.23
XLogP3
5.91
Consensus LogP
5.68
Log S (ESOL)
-6.37
Class (ESOL)
Insoluble
Log S (Ali)
-7.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.89
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us