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CAS 886465-70-9 1,1′-[(2-Phenyl-1-buten-1-ylidene)bis(4,1-phenyleneoxy-2,1-ethanediyl)]bis-pyrrolidine molecular structure lightbox
CAS RN: 886465-70-9

1,1′-[(2-Phenyl-1-buten-1-ylidene)bis(4,1-phenyleneoxy-2,1-ethanediyl)]bis-pyrrolidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260416 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS886465-70-9
  • Purity/Analytical Methods: >99.0%
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886465-70-9 / 1-[2-[4-[2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]ethyl]pyrrolidine

Standard CAS: 886465-70-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886465-70-9
Multi CAS
No
Molecular Formula
C34H42N2O2
Molecular Weight
510.700000
Exact Mass
510.324629
InChI
InChI=1S/C34H42N2O2/c1-2-33(28-10-4-3-5-11-28)34(29-12-16-31(17-13-29)37-26-24-35-20-6-7-21-35)30-14-18-32(19-15-30)38-27-25-36-22-8-9-23-36/h3-5,10-19H,2,6-9,20-27H2,1H3
InChIKey
XQQWCGJGUHJSLR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.41
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
157.87
TPSA
24.94

LogP / Solubility

WLOGP
7
MLOGP
6.2
XLogP3
8.1
Consensus LogP
7.1
Log S (ESOL)
-6.98
Class (ESOL)
Insoluble
Log S (Ali)
-8.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.86

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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