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CAS 210686-41-2 Hydroxy Ebastine molecular structure lightbox
CAS RN: 210686-41-2

Hydroxy Ebastine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250920 500μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS210686-41-2
  • Purity/Analytical Methods: >99.0%
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210686-41-2 / 4-(4-benzhydryloxypiperidin-1-yl)-1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]butan-1-one

Standard CAS: 210686-41-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210686-41-2
Multi CAS
No
Molecular Formula
C32H39NO3
Molecular Weight
485.700000
Exact Mass
485.292994
SMILES
CC(C)(CO)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C32H39NO3/c1-32(2,24-34)28-17-15-25(16-18-28)30(35)14-9-21-33-22-19-29(20-23-33)36-31(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,29,31,34H,9,14,19-24H2,1-2H3
InChIKey
UDZUMQUGNZBRMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.41
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
1
Molar refractivity
145.39
TPSA
49.77

LogP / Solubility

WLOGP
6.19
MLOGP
5.48
XLogP3
6
Consensus LogP
5.89
Log S (ESOL)
-6.39
Class (ESOL)
Insoluble
Log S (Ali)
-8.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.27
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)
-1.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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