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CAS 185066-37-9 Decarboxy Fexofenadine molecular structure lightbox
CAS RN: 185066-37-9

Decarboxy Fexofenadine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250702 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS185066-37-9
  • Purity/Analytical Methods: >99.0%
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185066-37-9 / 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-propan-2-ylphenyl)butan-1-ol

Standard CAS: 185066-37-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
185066-37-9
Multi CAS
No
Molecular Formula
C31H39NO2
Molecular Weight
457.600000
Exact Mass
457.298079
SMILES
CC(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O
InChI
InChI=1S/C31H39NO2/c1-24(2)25-15-17-26(18-16-25)30(33)14-9-21-32-22-19-29(20-23-32)31(34,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-13,15-18,24,29-30,33-34H,9,14,19-23H2,1-2H3
InChIKey
FZSQPQGERLSIOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.42
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
139.77
TPSA
43.7

LogP / Solubility

WLOGP
6.27
MLOGP
5.55
XLogP3
6
Consensus LogP
5.94
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-7.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.92
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)
-1.06

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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