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CAS 185066-33-5 Fexofenadine EP Impurity F molecular structure lightbox
CAS RN: 185066-33-5

Fexofenadine EP Impurity F

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250418 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS185066-33-5
  • Purity/Analytical Methods: >99.0%
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185066-33-5 / 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]propanoic acid

Standard CAS: 185066-33-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
185066-33-5
Multi CAS
No
Molecular Formula
C31H37NO4
Molecular Weight
487.600000
Exact Mass
487.272259
SMILES
CC(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O
InChI
InChI=1S/C31H37NO4/c1-23(30(34)35)24-14-16-25(17-15-24)29(33)13-8-20-32-21-18-28(19-22-32)31(36,26-9-4-2-5-10-26)27-11-6-3-7-12-27/h2-7,9-12,14-17,23,28-29,33,36H,8,13,18-22H2,1H3,(H,34,35)
InChIKey
LJRYMPSOYXBUOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.39
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
3
Molar refractivity
141.73
TPSA
81

LogP / Solubility

WLOGP
5.34
MLOGP
4.73
XLogP3
2.6
Consensus LogP
4.22
Log S (ESOL)
-5.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.46
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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