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CAS 918903-20-5 Carvedilol Bis-carbazole molecular structure lightbox
CAS RN: 918903-20-5

Carvedilol Bis-carbazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260131 15mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS918903-20-5
  • Purity/Analytical Methods: >99.0%
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918903-20-5 / 1-(9H-carbazol-4-yloxy)-3-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol

Standard CAS: 918903-20-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
918903-20-5
Multi CAS
No
Molecular Formula
C39H39N3O6
Molecular Weight
645.700000
Exact Mass
645.283886
InChI
InChI=1S/C39H39N3O6/c1-45-34-16-6-7-17-35(34)46-21-20-42(22-26(43)24-47-36-18-8-14-32-38(36)28-10-2-4-12-30(28)40-32)23-27(44)25-48-37-19-9-15-33-39(37)29-11-3-5-13-31(29)41-33/h2-19,26-27,40-41,43-44H,20-25H2,1H3
InChIKey
JRLQBMKMDMZBGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Aromatic heavy atom count
32
Fraction Csp3
0.23
Rotatable bonds
15
H-bond acceptors
7
H-bond donors
4
Molar refractivity
189.54
TPSA
112.2

LogP / Solubility

WLOGP
6.52
MLOGP
5.8
XLogP3
7.2
Consensus LogP
6.51
Log S (ESOL)
-7.46
Class (ESOL)
Insoluble
Log S (Ali)
-9.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7

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