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CAS 849629-03-4 COPPER(II) IONOPHORE IV molecular structure lightbox
CAS RN: 849629-03-4

COPPER(II) IONOPHORE IV

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250705 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS849629-03-4
  • Purity/Analytical Methods: >99.0%
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849629-03-4 / N,N-dicyclohexyl-2-[2-(dicyclohexylamino)-2-oxoethyl]sulfanylacetamide

Standard CAS: 849629-03-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
849629-03-4
Multi CAS
No
Molecular Formula
C28H48N2O2S
Molecular Weight
476.800000
Exact Mass
476.343650
InChI
InChI=1S/C28H48N2O2S/c31-27(29(23-13-5-1-6-14-23)24-15-7-2-8-16-24)21-33-22-28(32)30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h23-26H,1-22H2
InChIKey
BUESTOLSNRTEQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.93
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
138.51
TPSA
40.62

LogP / Solubility

WLOGP
6.71
MLOGP
5.94
XLogP3
7.2
Consensus LogP
6.62
Log S (ESOL)
-6.49
Class (ESOL)
Insoluble
Log S (Ali)
-8.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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